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Opened 6 years ago
Closed 5 years ago
#3162 closed defect (fixed)
Incorrect commands easily lost
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Command Line | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: Darwin-19.4.0-x86_64-i386-64bit
ChimeraX Version: 1.0 (2020-05-06)
Description
After typing a command with a syntax error if I type any character my command is erased since it is selected, then it is not in command history so I can't get back to it and have to retype the whole thing. Super annoying. Command history should remember even bad commands.
Log:
UCSF ChimeraX version: 1.0rc202005061615 (2020-05-06)
© 2016-2020 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open
> 5RGG,5RGI,5RGH,5RG3,5RG2,5RG1,5RGS,5RGR,5RGK,5RGJ,5RGM,5RGL,5RGO,5RGN,5RGQ,5RGP,5R8T,5RF2,5REO,5REN,5RFZ,5RFY,5RFR,5RFQ,5RFT,5RFS,5RFV,5RFU,5RFX,5RFW,5RFJ,5RFI,5RFL,5RFK,5RFN,5RFM,5RFP,5RFO,5RG0,5REA,5REC,5REB,5REE,5RED,5REG,5REF,5RE9,5RE8,5RE5,5RE4,5RE7,5RE6,5RFB,5RFA,5RFD,5RFC,5RFF,5RFE,5RFH,5RFG,5REY,5REX,5RF9,5REZ,5REP,5RF1,5RES,5RF4,5RER,5RF3,5REU,5RF6,5RET,5RF5,5REW,5RF8,5REV,5RF7,5REI,5REH,5REK,5REJ,5REM,5REL,5RF0,5R83,5R80,5R7Z,6Y2E,6WNP,6YB7,6WQF,5R84,5R7Y,5R82,5R81,6YNQ,6YT8,6M03,6M0K,6LZE,6Y2G,6Y2F,6Y84,6LU7
'5RGG,5RGI,5RGH,5RG3,5RG2,5RG1,5RGS,5RGR,5RGK,5RGJ,5RGM,5RGL,5RGO,5RGN,5RGQ,5RGP,5R8T,5RF2,5REO,5REN,5RFZ,5RFY,5RFR,5RFQ,5RFT,5RFS,5RFV,5RFU,5RFX,5RFW,5RFJ,5RFI,5RFL,5RFK,5RFN,5RFM,5RFP,5RFO,5RG0,5REA,5REC,5REB,5REE,5RED,5REG,5REF,5RE9,5RE8,5RE5,5RE4,5RE7,5RE6,5RFB,5RFA,5RFD,5RFC,5RFF,5RFE,5RFH,5RFG,5REY,5REX,5RF9,5REZ,5REP,5RF1,5RES,5RF4,5RER,5RF3,5REU,5RF6,5RET,5RF5,5REW,5RF8,5REV,5RF7,5REI,5REH,5REK,5REJ,5REM,5REL,5RF0,5R83,5R80,5R7Z,6Y2E,6WNP,6YB7,6WQF,5R84,5R7Y,5R82,5R81,6YNQ,6YT8,6M03,6M0K,6LZE,6Y2G,6Y2F,6Y84,6LU7'
has no suffix
> open 5RGG 5RGI 5RGH 5RG3 5RG2 5RG1 5RGS 5RGR 5RGK 5RGJ 5RGM 5RGL 5RGO 5RGN
> 5RGQ 5RGP 5R8T 5RF2 5REO 5REN 5RFZ 5RFY 5RFR 5RFQ 5RFT 5RFS 5RFV 5RFU 5RFX
> 5RFW 5RFJ 5RFI 5RFL 5RFK 5RFN 5RFM 5RFP 5RFO 5RG0 5REA 5REC 5REB 5REE 5RED
> 5REG 5REF 5RE9 5RE8 5RE5 5RE4 5RE7 5RE6 5RFB 5RFA 5RFD 5RFC 5RFF 5RFE 5RFH
> 5RFG 5REY 5REX 5RF9 5REZ 5REP 5RF1 5RES 5RF4 5RER 5RF3 5REU 5RF6 5RET 5RF5
> 5REW 5RF8 5REV 5RF7 5REI 5REH 5REK 5REJ 5REM 5REL 5RF0 5R83 5R80 5R7Z 6Y2E
> 6WNP 6YB7 6WQF 5R84 5R7Y 5R82 5R81 6YNQ 6YT8 6M03 6M0K 6LZE 6Y2G 6Y2F 6Y84
> 6LU7
Summary of feedback from opening 5RGI fetched from pdb
---
notes | Fetching compressed mmCIF 5rgi from
http://files.rcsb.org/download/5rgi.cif
Fetching CCD U0P from http://ligand-expo.rcsb.org/reports/U/U0P/U0P.cif
Summary of feedback from opening 5RGH fetched from pdb
---
notes | Fetching compressed mmCIF 5rgh from
http://files.rcsb.org/download/5rgh.cif
Fetching CCD U0M from http://ligand-expo.rcsb.org/reports/U/U0M/U0M.cif
Summary of feedback from opening 5RG3 fetched from pdb
---
notes | Fetching compressed mmCIF 5rg3 from
http://files.rcsb.org/download/5rg3.cif
Fetching CCD T9P from http://ligand-expo.rcsb.org/reports/T/T9P/T9P.cif
Summary of feedback from opening 5RG2 fetched from pdb
---
notes | Fetching compressed mmCIF 5rg2 from
http://files.rcsb.org/download/5rg2.cif
Fetching CCD T9M from http://ligand-expo.rcsb.org/reports/T/T9M/T9M.cif
Summary of feedback from opening 5RG1 fetched from pdb
---
notes | Fetching compressed mmCIF 5rg1 from
http://files.rcsb.org/download/5rg1.cif
Fetching CCD T9J from http://ligand-expo.rcsb.org/reports/T/T9J/T9J.cif
Summary of feedback from opening 5RGS fetched from pdb
---
notes | Fetching compressed mmCIF 5rgs from
http://files.rcsb.org/download/5rgs.cif
Fetching CCD S7V from http://ligand-expo.rcsb.org/reports/S/S7V/S7V.cif
Summary of feedback from opening 5RGR fetched from pdb
---
notes | Fetching compressed mmCIF 5rgr from
http://files.rcsb.org/download/5rgr.cif
Fetching CCD K1G from http://ligand-expo.rcsb.org/reports/K/K1G/K1G.cif
Summary of feedback from opening 5RGK fetched from pdb
---
notes | Fetching compressed mmCIF 5rgk from
http://files.rcsb.org/download/5rgk.cif
Fetching CCD U0V from http://ligand-expo.rcsb.org/reports/U/U0V/U0V.cif
Summary of feedback from opening 5RGJ fetched from pdb
---
notes | Fetching compressed mmCIF 5rgj from
http://files.rcsb.org/download/5rgj.cif
Fetching CCD U0S from http://ligand-expo.rcsb.org/reports/U/U0S/U0S.cif
Summary of feedback from opening 5RGM fetched from pdb
---
notes | Fetching compressed mmCIF 5rgm from
http://files.rcsb.org/download/5rgm.cif
Fetching CCD U1D from http://ligand-expo.rcsb.org/reports/U/U1D/U1D.cif
Summary of feedback from opening 5RGL fetched from pdb
---
notes | Fetching compressed mmCIF 5rgl from
http://files.rcsb.org/download/5rgl.cif
Fetching CCD U0Y from http://ligand-expo.rcsb.org/reports/U/U0Y/U0Y.cif
Summary of feedback from opening 5RGO fetched from pdb
---
notes | Fetching compressed mmCIF 5rgo from
http://files.rcsb.org/download/5rgo.cif
Fetching CCD U1G from http://ligand-expo.rcsb.org/reports/U/U1G/U1G.cif
Summary of feedback from opening 5RGN fetched from pdb
---
notes | Fetching compressed mmCIF 5rgn from
http://files.rcsb.org/download/5rgn.cif
Fetching CCD U1A from http://ligand-expo.rcsb.org/reports/U/U1A/U1A.cif
Summary of feedback from opening 5RGQ fetched from pdb
---
notes | Fetching compressed mmCIF 5rgq from
http://files.rcsb.org/download/5rgq.cif
Fetching CCD U1V from http://ligand-expo.rcsb.org/reports/U/U1V/U1V.cif
Summary of feedback from opening 5RGP fetched from pdb
---
notes | Fetching compressed mmCIF 5rgp from
http://files.rcsb.org/download/5rgp.cif
Fetching CCD U1M from http://ligand-expo.rcsb.org/reports/U/U1M/U1M.cif
Summary of feedback from opening 5R8T fetched from pdb
---
note | Fetching compressed mmCIF 5r8t from
http://files.rcsb.org/download/5r8t.cif
Summary of feedback from opening 5RF2 fetched from pdb
---
note | Fetching compressed mmCIF 5rf2 from
http://files.rcsb.org/download/5rf2.cif
Summary of feedback from opening 5REO fetched from pdb
---
note | Fetching compressed mmCIF 5reo from
http://files.rcsb.org/download/5reo.cif
Summary of feedback from opening 5REN fetched from pdb
---
note | Fetching compressed mmCIF 5ren from
http://files.rcsb.org/download/5ren.cif
Summary of feedback from opening 5RFZ fetched from pdb
---
note | Fetching compressed mmCIF 5rfz from
http://files.rcsb.org/download/5rfz.cif
Summary of feedback from opening 5RFY fetched from pdb
---
note | Fetching compressed mmCIF 5rfy from
http://files.rcsb.org/download/5rfy.cif
Summary of feedback from opening 5RFR fetched from pdb
---
note | Fetching compressed mmCIF 5rfr from
http://files.rcsb.org/download/5rfr.cif
Summary of feedback from opening 5RFQ fetched from pdb
---
note | Fetching compressed mmCIF 5rfq from
http://files.rcsb.org/download/5rfq.cif
Summary of feedback from opening 5RFT fetched from pdb
---
note | Fetching compressed mmCIF 5rft from
http://files.rcsb.org/download/5rft.cif
Summary of feedback from opening 5RFS fetched from pdb
---
note | Fetching compressed mmCIF 5rfs from
http://files.rcsb.org/download/5rfs.cif
Summary of feedback from opening 5RFV fetched from pdb
---
note | Fetching compressed mmCIF 5rfv from
http://files.rcsb.org/download/5rfv.cif
Summary of feedback from opening 5RFU fetched from pdb
---
note | Fetching compressed mmCIF 5rfu from
http://files.rcsb.org/download/5rfu.cif
Summary of feedback from opening 5RFX fetched from pdb
---
note | Fetching compressed mmCIF 5rfx from
http://files.rcsb.org/download/5rfx.cif
Summary of feedback from opening 5RFW fetched from pdb
---
note | Fetching compressed mmCIF 5rfw from
http://files.rcsb.org/download/5rfw.cif
Summary of feedback from opening 5RFJ fetched from pdb
---
note | Fetching compressed mmCIF 5rfj from
http://files.rcsb.org/download/5rfj.cif
Summary of feedback from opening 5RFI fetched from pdb
---
note | Fetching compressed mmCIF 5rfi from
http://files.rcsb.org/download/5rfi.cif
Summary of feedback from opening 5RFL fetched from pdb
---
note | Fetching compressed mmCIF 5rfl from
http://files.rcsb.org/download/5rfl.cif
Summary of feedback from opening 5RFK fetched from pdb
---
note | Fetching compressed mmCIF 5rfk from
http://files.rcsb.org/download/5rfk.cif
Summary of feedback from opening 5RFN fetched from pdb
---
note | Fetching compressed mmCIF 5rfn from
http://files.rcsb.org/download/5rfn.cif
Summary of feedback from opening 5RFM fetched from pdb
---
note | Fetching compressed mmCIF 5rfm from
http://files.rcsb.org/download/5rfm.cif
Summary of feedback from opening 5RFP fetched from pdb
---
note | Fetching compressed mmCIF 5rfp from
http://files.rcsb.org/download/5rfp.cif
Summary of feedback from opening 5RFO fetched from pdb
---
note | Fetching compressed mmCIF 5rfo from
http://files.rcsb.org/download/5rfo.cif
Summary of feedback from opening 5RG0 fetched from pdb
---
note | Fetching compressed mmCIF 5rg0 from
http://files.rcsb.org/download/5rg0.cif
Summary of feedback from opening 5REA fetched from pdb
---
note | Fetching compressed mmCIF 5rea from
http://files.rcsb.org/download/5rea.cif
Summary of feedback from opening 5REC fetched from pdb
---
note | Fetching compressed mmCIF 5rec from
http://files.rcsb.org/download/5rec.cif
Summary of feedback from opening 5REB fetched from pdb
---
note | Fetching compressed mmCIF 5reb from
http://files.rcsb.org/download/5reb.cif
Summary of feedback from opening 5REE fetched from pdb
---
note | Fetching compressed mmCIF 5ree from
http://files.rcsb.org/download/5ree.cif
Summary of feedback from opening 5RED fetched from pdb
---
note | Fetching compressed mmCIF 5red from
http://files.rcsb.org/download/5red.cif
Summary of feedback from opening 5REG fetched from pdb
---
note | Fetching compressed mmCIF 5reg from
http://files.rcsb.org/download/5reg.cif
Summary of feedback from opening 5REF fetched from pdb
---
note | Fetching compressed mmCIF 5ref from
http://files.rcsb.org/download/5ref.cif
Summary of feedback from opening 5RE9 fetched from pdb
---
note | Fetching compressed mmCIF 5re9 from
http://files.rcsb.org/download/5re9.cif
Summary of feedback from opening 5RE8 fetched from pdb
---
note | Fetching compressed mmCIF 5re8 from
http://files.rcsb.org/download/5re8.cif
Summary of feedback from opening 5RE5 fetched from pdb
---
note | Fetching compressed mmCIF 5re5 from
http://files.rcsb.org/download/5re5.cif
Summary of feedback from opening 5RE4 fetched from pdb
---
note | Fetching compressed mmCIF 5re4 from
http://files.rcsb.org/download/5re4.cif
Summary of feedback from opening 5RE7 fetched from pdb
---
note | Fetching compressed mmCIF 5re7 from
http://files.rcsb.org/download/5re7.cif
Summary of feedback from opening 5RE6 fetched from pdb
---
note | Fetching compressed mmCIF 5re6 from
http://files.rcsb.org/download/5re6.cif
Summary of feedback from opening 5RFB fetched from pdb
---
note | Fetching compressed mmCIF 5rfb from
http://files.rcsb.org/download/5rfb.cif
Summary of feedback from opening 5RFA fetched from pdb
---
note | Fetching compressed mmCIF 5rfa from
http://files.rcsb.org/download/5rfa.cif
Summary of feedback from opening 5RFD fetched from pdb
---
note | Fetching compressed mmCIF 5rfd from
http://files.rcsb.org/download/5rfd.cif
Summary of feedback from opening 5RFC fetched from pdb
---
note | Fetching compressed mmCIF 5rfc from
http://files.rcsb.org/download/5rfc.cif
Summary of feedback from opening 5RFF fetched from pdb
---
note | Fetching compressed mmCIF 5rff from
http://files.rcsb.org/download/5rff.cif
Summary of feedback from opening 5RFE fetched from pdb
---
note | Fetching compressed mmCIF 5rfe from
http://files.rcsb.org/download/5rfe.cif
Summary of feedback from opening 5RFH fetched from pdb
---
note | Fetching compressed mmCIF 5rfh from
http://files.rcsb.org/download/5rfh.cif
Summary of feedback from opening 5RFG fetched from pdb
---
note | Fetching compressed mmCIF 5rfg from
http://files.rcsb.org/download/5rfg.cif
Summary of feedback from opening 5REY fetched from pdb
---
note | Fetching compressed mmCIF 5rey from
http://files.rcsb.org/download/5rey.cif
Summary of feedback from opening 5REX fetched from pdb
---
note | Fetching compressed mmCIF 5rex from
http://files.rcsb.org/download/5rex.cif
Summary of feedback from opening 5RF9 fetched from pdb
---
note | Fetching compressed mmCIF 5rf9 from
http://files.rcsb.org/download/5rf9.cif
Summary of feedback from opening 5REZ fetched from pdb
---
note | Fetching compressed mmCIF 5rez from
http://files.rcsb.org/download/5rez.cif
Summary of feedback from opening 5REP fetched from pdb
---
note | Fetching compressed mmCIF 5rep from
http://files.rcsb.org/download/5rep.cif
Summary of feedback from opening 5RF1 fetched from pdb
---
note | Fetching compressed mmCIF 5rf1 from
http://files.rcsb.org/download/5rf1.cif
Summary of feedback from opening 5RES fetched from pdb
---
note | Fetching compressed mmCIF 5res from
http://files.rcsb.org/download/5res.cif
Summary of feedback from opening 5RF4 fetched from pdb
---
note | Fetching compressed mmCIF 5rf4 from
http://files.rcsb.org/download/5rf4.cif
Summary of feedback from opening 5RER fetched from pdb
---
note | Fetching compressed mmCIF 5rer from
http://files.rcsb.org/download/5rer.cif
Summary of feedback from opening 5RF3 fetched from pdb
---
note | Fetching compressed mmCIF 5rf3 from
http://files.rcsb.org/download/5rf3.cif
Summary of feedback from opening 5REU fetched from pdb
---
note | Fetching compressed mmCIF 5reu from
http://files.rcsb.org/download/5reu.cif
Summary of feedback from opening 5RF6 fetched from pdb
---
note | Fetching compressed mmCIF 5rf6 from
http://files.rcsb.org/download/5rf6.cif
Summary of feedback from opening 5RET fetched from pdb
---
note | Fetching compressed mmCIF 5ret from
http://files.rcsb.org/download/5ret.cif
Summary of feedback from opening 5RF5 fetched from pdb
---
note | Fetching compressed mmCIF 5rf5 from
http://files.rcsb.org/download/5rf5.cif
Summary of feedback from opening 5REW fetched from pdb
---
note | Fetching compressed mmCIF 5rew from
http://files.rcsb.org/download/5rew.cif
Summary of feedback from opening 5RF8 fetched from pdb
---
note | Fetching compressed mmCIF 5rf8 from
http://files.rcsb.org/download/5rf8.cif
Summary of feedback from opening 5REV fetched from pdb
---
note | Fetching compressed mmCIF 5rev from
http://files.rcsb.org/download/5rev.cif
Summary of feedback from opening 5RF7 fetched from pdb
---
note | Fetching compressed mmCIF 5rf7 from
http://files.rcsb.org/download/5rf7.cif
Summary of feedback from opening 5REI fetched from pdb
---
note | Fetching compressed mmCIF 5rei from
http://files.rcsb.org/download/5rei.cif
Summary of feedback from opening 5REH fetched from pdb
---
note | Fetching compressed mmCIF 5reh from
http://files.rcsb.org/download/5reh.cif
Summary of feedback from opening 5REK fetched from pdb
---
note | Fetching compressed mmCIF 5rek from
http://files.rcsb.org/download/5rek.cif
Summary of feedback from opening 5REJ fetched from pdb
---
note | Fetching compressed mmCIF 5rej from
http://files.rcsb.org/download/5rej.cif
Summary of feedback from opening 5REM fetched from pdb
---
note | Fetching compressed mmCIF 5rem from
http://files.rcsb.org/download/5rem.cif
Summary of feedback from opening 5REL fetched from pdb
---
note | Fetching compressed mmCIF 5rel from
http://files.rcsb.org/download/5rel.cif
Summary of feedback from opening 5RF0 fetched from pdb
---
note | Fetching compressed mmCIF 5rf0 from
http://files.rcsb.org/download/5rf0.cif
Summary of feedback from opening 5R83 fetched from pdb
---
notes | Fetching compressed mmCIF 5r83 from
http://files.rcsb.org/download/5r83.cif
Fetching CCD K0G from http://ligand-expo.rcsb.org/reports/K/K0G/K0G.cif
Summary of feedback from opening 5R80 fetched from pdb
---
notes | Fetching compressed mmCIF 5r80 from
http://files.rcsb.org/download/5r80.cif
Fetching CCD RZG from http://ligand-expo.rcsb.org/reports/R/RZG/RZG.cif
Summary of feedback from opening 5R7Z fetched from pdb
---
notes | Fetching compressed mmCIF 5r7z from
http://files.rcsb.org/download/5r7z.cif
Fetching CCD HWH from http://ligand-expo.rcsb.org/reports/H/HWH/HWH.cif
Summary of feedback from opening 6WNP fetched from pdb
---
warning | Atom H1 is not in the residue template for SER #1 in chain A
notes | Fetching compressed mmCIF 6wnp from
http://files.rcsb.org/download/6wnp.cif
Fetching CCD U5G from http://ligand-expo.rcsb.org/reports/U/U5G/U5G.cif
Summary of feedback from opening 6YB7 fetched from pdb
---
note | Fetching compressed mmCIF 6yb7 from
http://files.rcsb.org/download/6yb7.cif
Summary of feedback from opening 6WQF fetched from pdb
---
note | Fetching compressed mmCIF 6wqf from
http://files.rcsb.org/download/6wqf.cif
Summary of feedback from opening 5R84 fetched from pdb
---
notes | Fetching compressed mmCIF 5r84 from
http://files.rcsb.org/download/5r84.cif
Fetching CCD GWS from http://ligand-expo.rcsb.org/reports/G/GWS/GWS.cif
Summary of feedback from opening 5R7Y fetched from pdb
---
notes | Fetching compressed mmCIF 5r7y from
http://files.rcsb.org/download/5r7y.cif
Fetching CCD JFM from http://ligand-expo.rcsb.org/reports/J/JFM/JFM.cif
Summary of feedback from opening 5R82 fetched from pdb
---
notes | Fetching compressed mmCIF 5r82 from
http://files.rcsb.org/download/5r82.cif
Fetching CCD RZS from http://ligand-expo.rcsb.org/reports/R/RZS/RZS.cif
Summary of feedback from opening 5R81 fetched from pdb
---
notes | Fetching compressed mmCIF 5r81 from
http://files.rcsb.org/download/5r81.cif
Fetching CCD RZJ from http://ligand-expo.rcsb.org/reports/R/RZJ/RZJ.cif
Summary of feedback from opening 6YNQ fetched from pdb
---
warning | Atom H1 is not in the residue template for SER #1 in chain A
notes | Fetching compressed mmCIF 6ynq from
http://files.rcsb.org/download/6ynq.cif
Fetching CCD P6N from http://ligand-expo.rcsb.org/reports/P/P6N/P6N.cif
Summary of feedback from opening 6YT8 fetched from pdb
---
warning | Atom H1 is not in the residue template for SER #1 in chain A
notes | Fetching compressed mmCIF 6yt8 from
http://files.rcsb.org/download/6yt8.cif
Fetching CCD PK8 from http://ligand-expo.rcsb.org/reports/P/PK8/PK8.cif
Fetching CCD IMD from http://ligand-expo.rcsb.org/reports/I/IMD/IMD.cif
Summary of feedback from opening 6M03 fetched from pdb
---
note | Fetching compressed mmCIF 6m03 from
http://files.rcsb.org/download/6m03.cif
Summary of feedback from opening 6M0K fetched from pdb
---
notes | Fetching compressed mmCIF 6m0k from
http://files.rcsb.org/download/6m0k.cif
Fetching CCD ICB from http://ligand-expo.rcsb.org/reports/I/ICB/ICB.cif
Fetching CCD N0A from http://ligand-expo.rcsb.org/reports/N/N0A/N0A.cif
Fetching CCD ELL from http://ligand-expo.rcsb.org/reports/E/ELL/ELL.cif
Summary of feedback from opening 6LZE fetched from pdb
---
notes | Fetching compressed mmCIF 6lze from
http://files.rcsb.org/download/6lze.cif
Fetching CCD ALC from http://ligand-expo.rcsb.org/reports/A/ALC/ALC.cif
Summary of feedback from opening 6Y2G fetched from pdb
---
warning | Unable to infer polymer connectivity due to unspecified label_seq_id
for residue "GLY" near line 6013
Summary of feedback from opening 6Y84 fetched from pdb
---
note | Fetching compressed mmCIF 6y84 from
http://files.rcsb.org/download/6y84.cif
5rgg title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434890
(Mpro-x0165) [more info...]
Chain information for 5rgg #1
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgg #1
---
DMS — dimethyl sulfoxide
NZD — 4-methyl-N-phenylpiperazine-1-carboxamide
5rgg mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgi title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with Z369936976
(Mpro-x0397) [more info...]
Chain information for 5rgi #2
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgi #2
---
DMS — dimethyl sulfoxide
U0P — N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
5rgi mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgh title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with Z1619978933
(Mpro-x0395) [more info...]
Chain information for 5rgh #3
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgh #3
---
DMS — dimethyl sulfoxide
U0M —
5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine
5rgh mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rg3 title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025412
[more info...]
Chain information for 5rg3 #4
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rg3 #4
---
DMS — dimethyl sulfoxide
T9P — N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide
5rg3 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rg2 title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025058
[more info...]
Chain information for 5rg2 #5
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rg2 #5
---
DMS — dimethyl sulfoxide
T9M — N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide
5rg2 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rg1 title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00024905
[more info...]
Chain information for 5rg1 #6
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rg1 #6
---
DMS — dimethyl sulfoxide
T9J — Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide
5rg1 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgs title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with Z1259086950
(Mpro-x1163) [more info...]
Chain information for 5rgs #7
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgs #7
---
DMS — dimethyl sulfoxide
S7V — [(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol
5rgs mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgr title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with Z328695024
(Mpro-x1101) [more info...]
Chain information for 5rgr #8
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgr #8
---
DMS — dimethyl sulfoxide
K1G — N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
5rgr mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgk title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with Z1310876699
(Mpro-x0426) [more info...]
Chain information for 5rgk #9
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgk #9
---
DMS — dimethyl sulfoxide
U0V — 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
5rgk mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgj title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with Z1401276297
(Mpro-x0425) [more info...]
Chain information for 5rgj #10
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgj #10
---
DMS — dimethyl sulfoxide
U0S — (5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
5rgj mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgm title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102142
(Mpro-x0708) [more info...]
Chain information for 5rgm #11
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgm #11
---
DMS — dimethyl sulfoxide
U1D — N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
5rgm mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgl title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102962
(Mpro-x0705) [more info...]
Chain information for 5rgl #12
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgl #12
---
DMS — dimethyl sulfoxide
U0Y — 1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one
5rgl mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgo title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102248
(Mpro-x0736) [more info...]
Chain information for 5rgo #13
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgo #13
---
DMS — dimethyl sulfoxide
U1G — 1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one
5rgo mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgn title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102759
(Mpro-x0731) [more info...]
Chain information for 5rgn #14
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgn #14
---
DMS — dimethyl sulfoxide
U1A — 1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
5rgn mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgq title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686
(Mpro-x1086) [more info...]
Chain information for 5rgq #15
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgq #15
---
DMS — dimethyl sulfoxide
U1V — 1-(4-fluoro-2-methylphenyl)methanesulfonamide
5rgq mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rgp title:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen --
Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102628
(Mpro-x0771) [more info...]
Chain information for 5rgp #16
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rgp #16
---
DMS — dimethyl sulfoxide
U1M — 1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
5rgp mmCIF Assemblies
---
1| author_and_software_defined_assembly
5r8t title:
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main
protease screened against DSI poised (Enamine), Fraglites and Peplites
(Newcastle university), Mini Frags (Astex), York 3D (York university),
electrophile cysteine covalent (Weizman institute) fragment libraries [more
info...]
Chain information for 5r8t #17
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5r8t #17
---
DMS — dimethyl sulfoxide
5r8t mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rf2 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z1741969146 [more info...]
Chain information for 5rf2 #18
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rf2 #18
---
DMS — dimethyl sulfoxide
HVB — 1-azanylpropylideneazanium
5rf2 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5reo title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102578 [more info...]
Chain information for 5reo #19
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5reo #19
---
DMS — dimethyl sulfoxide
T2Y — N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
5reo mmCIF Assemblies
---
1| author_and_software_defined_assembly
5ren title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102425 [more info...]
Chain information for 5ren #20
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5ren #20
---
DMS — dimethyl sulfoxide
T2V — 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one
5ren mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfz title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102274 [more info...]
Chain information for 5rfz #21
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfz #21
---
DMS — dimethyl sulfoxide
T8V — N-(2-chloropyridin-3-yl)acetamide
5rfz mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfy title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102974 [more info...]
Chain information for 5rfy #22
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfy #22
---
DMS — dimethyl sulfoxide
T8S — 1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide
5rfy mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfr title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102169 [more info...]
Chain information for 5rfr #23
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfr #23
---
DMS — dimethyl sulfoxide
T81 — 1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
5rfr mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfq title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102179 [more info...]
Chain information for 5rfq #24
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfq #24
---
DMS — dimethyl sulfoxide
T7Y — N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
5rfq mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rft title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102432 [more info...]
Chain information for 5rft #25
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rft #25
---
DMS — dimethyl sulfoxide
T8A — 1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
5rft mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfs title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102739 [more info...]
Chain information for 5rfs #26
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfs #26
---
DMS — dimethyl sulfoxide
T84 — 1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one
5rfs mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfv title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102306 [more info...]
Chain information for 5rfv #27
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfv #27
---
DMS — dimethyl sulfoxide
T8J — 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one
5rfv mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfu title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102121 [more info...]
Chain information for 5rfu #28
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfu #28
---
DMS — dimethyl sulfoxide
T8D — 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
5rfu mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfx title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102254 [more info...]
Chain information for 5rfx #29
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfx #29
---
DMS — dimethyl sulfoxide
T8P — 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
5rfx mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfw title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102243 [more info...]
Chain information for 5rfw #30
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfw #30
---
DMS — dimethyl sulfoxide
T8M — 1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
5rfw mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfj title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0103067 [more info...]
Chain information for 5rfj #31
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfj #31
---
DMS — dimethyl sulfoxide
T7A — N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
5rfj mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfi title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102353 [more info...]
Chain information for 5rfi #32
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfi #32
---
DMS — dimethyl sulfoxide
T71 — 1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
5rfi mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfl title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102389 [more info...]
Chain information for 5rfl #33
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfl #33
---
DMS — dimethyl sulfoxide
T7G — 1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
5rfl mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfk title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102575 [more info...]
Chain information for 5rfk #34
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfk #34
---
DMS — dimethyl sulfoxide
T7D — N-(1-acetylpiperidin-4-yl)benzamide
5rfk mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfn title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102868 [more info...]
Chain information for 5rfn #35
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfn #35
---
DMS — dimethyl sulfoxide
T7P —
N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide
5rfn mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfm title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102539 [more info...]
Chain information for 5rfm #36
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfm #36
---
DMS — dimethyl sulfoxide
T7J —
N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
5rfm mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfp title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102190 [more info...]
Chain information for 5rfp #37
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfp #37
---
DMS — dimethyl sulfoxide
T7V — N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
5rfp mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfo title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102972 [more info...]
Chain information for 5rfo #38
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfo #38
---
DMS — dimethyl sulfoxide
T7S — 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
5rfo mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rg0 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102535 [more info...]
Chain information for 5rg0 #39
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rg0 #39
---
DMS — dimethyl sulfoxide
T8Y — 1,1'-(piperazine-1,4-diyl)di(ethan-1-one)
5rg0 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rea title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z31432226 [more info...]
Chain information for 5rea #40
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rea #40
---
DMS — dimethyl sulfoxide
JGP — (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone
5rea mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rec title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z1587220559 [more info...]
Chain information for 5rec #41
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rec #41
---
DMS — dimethyl sulfoxide
T1J — 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol
5rec mmCIF Assemblies
---
1| author_and_software_defined_assembly
5reb title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z2856434899 [more info...]
Chain information for 5reb #42
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5reb #42
---
DMS — dimethyl sulfoxide
T0Y — 1-[(thiophen-3-yl)methyl]piperidin-4-ol
5reb mmCIF Assemblies
---
1| author_and_software_defined_assembly
5ree title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z2217052426 [more info...]
Chain information for 5ree #43
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5ree #43
---
DMS — dimethyl sulfoxide
T1M — (2R,3R)-1-benzyl-2-methylpiperidin-3-ol
5ree mmCIF Assemblies
---
1| author_and_software_defined_assembly
5red title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z2856434865 [more info...]
Chain information for 5red #44
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5red #44
---
DMS — dimethyl sulfoxide
JJG — 4-[2-(phenylsulfanyl)ethyl]morpholine
5red mmCIF Assemblies
---
1| author_and_software_defined_assembly
5reg title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z1545313172 [more info...]
Chain information for 5reg #45
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5reg #45
---
DMS — dimethyl sulfoxide
LWA — (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide
5reg mmCIF Assemblies
---
1| author_and_software_defined_assembly
5ref title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z24758179 [more info...]
Chain information for 5ref #46
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5ref #46
---
6SU — methyl 3-(methylsulfonylamino)benzoate
DMS — dimethyl sulfoxide
5ref mmCIF Assemblies
---
1| author_and_software_defined_assembly
5re9 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z2856434836 [more info...]
Chain information for 5re9 #47
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5re9 #47
---
DMS — dimethyl sulfoxide
LPZ — 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
5re9 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5re8 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z2737076969 [more info...]
Chain information for 5re8 #48
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5re8 #48
---
DMS — dimethyl sulfoxide
T0V — 1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine
5re8 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5re5 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z33545544 [more info...]
Chain information for 5re5 #49
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5re5 #49
---
DMS — dimethyl sulfoxide
T0J — N~1~-phenylpiperidine-1,4-dicarboxamide
5re5 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5re4 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z1129283193 [more info...]
Chain information for 5re4 #50
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5re4 #50
---
DMS — dimethyl sulfoxide
SZY — N-(4-methylpyridin-3-yl)acetamide
5re4 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5re7 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z30932204 [more info...]
Chain information for 5re7 #51
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5re7 #51
---
DMS — dimethyl sulfoxide
T0S — N-[(4-sulfamoylphenyl)methyl]acetamide
5re7 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5re6 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z54571979 [more info...]
Chain information for 5re6 #52
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5re6 #52
---
DMS — dimethyl sulfoxide
O0S — N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide
5re6 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfb title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z1271660837 [more info...]
Chain information for 5rfb #53
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfb #53
---
DMS — dimethyl sulfoxide
K3S — N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine
5rfb mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfa title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z2643472210 [more info...]
Chain information for 5rfa #54
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfa #54
---
DMS — dimethyl sulfoxide
JGY — 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
5rfa mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfd title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z126932614 [more info...]
Chain information for 5rfd #55
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfd #55
---
DMS — dimethyl sulfoxide
T6J — 2-[(methylsulfonyl)methyl]-1H-benzimidazole
5rfd mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfc title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z979145504 [more info...]
Chain information for 5rfc #56
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfc #56
---
DMS — dimethyl sulfoxide
K1Y — methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
5rfc mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rff title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102704 [more info...]
Chain information for 5rff #57
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rff #57
---
DMS — dimethyl sulfoxide
T6M — 1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
5rff mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfe title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z509756472 [more info...]
Chain information for 5rfe #58
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfe #58
---
DMS — dimethyl sulfoxide
JGG — N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide
5rfe mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfh title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102277 [more info...]
Chain information for 5rfh #59
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfh #59
---
DMS — dimethyl sulfoxide
T6Y — 1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
5rfh mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rfg title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102372 [more info...]
Chain information for 5rfg #60
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rfg #60
---
DMS — dimethyl sulfoxide
T6V —
N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide
5rfg mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rey title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102911 [more info...]
Chain information for 5rey #61
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rey #61
---
DMS — dimethyl sulfoxide
T4Y — 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
5rey mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rex title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102287 [more info...]
Chain information for 5rex #62
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rex #62
---
DMS — dimethyl sulfoxide
T4V — 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one
5rex mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rf9 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z217038356 [more info...]
Chain information for 5rf9 #63
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rf9 #63
---
DMS — dimethyl sulfoxide
S7D — 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone
5rf9 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rez title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with POB0129 [more info...]
Chain information for 5rez #64
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rez #64
---
DMS — dimethyl sulfoxide
T54 — (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
5rez mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rep title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102201 [more info...]
Chain information for 5rep #65
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rep #65
---
DMS — dimethyl sulfoxide
T3G — 1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
5rep mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rf1 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with NCL-00023830 [more info...]
Chain information for 5rf1 #66
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rf1 #66
---
DMS — dimethyl sulfoxide
T5G — 4-bromobenzene-1-sulfonamide
5rf1 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5res title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102281 [more info...]
Chain information for 5res #67
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5res #67
---
DMS — dimethyl sulfoxide
T3V — 1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
5res mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rf4 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z1741982125 [more info...]
Chain information for 5rf4 #68
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rf4 #68
---
DMS — dimethyl sulfoxide
T5Y — pyridin-2-ol
5rf4 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rer title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102615 [more info...]
Chain information for 5rer #69
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rer #69
---
DMS — dimethyl sulfoxide
T3J — 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
5rer mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rf3 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z1741970824 [more info...]
Chain information for 5rf3 #70
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rf3 #70
---
DMS — dimethyl sulfoxide
T5V — pyrimidin-5-amine
5rf3 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5reu title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102395 [more info...]
Chain information for 5reu #71
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5reu #71
---
DMS — dimethyl sulfoxide
T4D — 2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile
5reu mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rf6 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z1348371854 [more info...]
Chain information for 5rf6 #72
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rf6 #72
---
DMS — dimethyl sulfoxide
NTG — 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
5rf6 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5ret title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102269 [more info...]
Chain information for 5ret #73
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5ret #73
---
DMS — dimethyl sulfoxide
T47 — 1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one
5ret mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rf5 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z3241250482 [more info...]
Chain information for 5rf5 #74
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rf5 #74
---
DMS — dimethyl sulfoxide
HV2 — 1,1-bis(oxidanylidene)thietan-3-ol
5rf5 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rew title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102275 [more info...]
Chain information for 5rew #75
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rew #75
---
DMS — dimethyl sulfoxide
T4M — N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide
5rew mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rf8 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z271004858 [more info...]
Chain information for 5rf8 #76
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rf8 #76
---
DMS — dimethyl sulfoxide
SFY — 4-amino-N-(pyridin-2-yl)benzenesulfonamide (Sulfapyridine)
5rf8 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rev title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0103072 [more info...]
Chain information for 5rev #77
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rev #77
---
DMS — dimethyl sulfoxide
T4J — N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
5rev mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rf7 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z316425948_minor [more info...]
Chain information for 5rf7 #78
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rf7 #78
---
DMS — dimethyl sulfoxide
T67 — 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one
5rf7 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rei title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z2856434856 [more info...]
Chain information for 5rei #79
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rei #79
---
DMS — dimethyl sulfoxide
T1S — 4-[(3-chlorophenyl)methyl]morpholine
5rei mmCIF Assemblies
---
1| author_and_software_defined_assembly
5reh title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z111507846 [more info...]
Chain information for 5reh #80
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5reh #80
---
AWP — 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
DMS — dimethyl sulfoxide
5reh mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rek title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102327 [more info...]
Chain information for 5rek #81
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rek #81
---
DMS — dimethyl sulfoxide
T1Y — 1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
5rek mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rej title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102241 [more info...]
Chain information for 5rej #82
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rej #82
---
DMS — dimethyl sulfoxide
T1V — 1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
5rej mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rem title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0103016 [more info...]
Chain information for 5rem #83
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rem #83
---
DMS — dimethyl sulfoxide
T2J — 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one
5rem mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rel title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with PCM-0102340 [more info...]
Chain information for 5rel #84
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rel #84
---
DMS — dimethyl sulfoxide
T2G — 1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
5rel mmCIF Assemblies
---
1| author_and_software_defined_assembly
5rf0 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with POB0073 [more info...]
Chain information for 5rf0 #85
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5rf0 #85
---
DMS — dimethyl sulfoxide
T5D — [1-(pyridin-2-yl)cyclopentyl]methanol
5rf0 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5r83 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z44592329 [more info...]
Chain information for 5r83 #86
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5r83 #86
---
DMS — dimethyl sulfoxide
K0G — N-phenyl-N'-pyridin-3-ylurea
5r83 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5r80 title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z18197050 [more info...]
Chain information for 5r80 #87
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5r80 #87
---
DMS — dimethyl sulfoxide
RZG — methyl 4-sulfamoylbenzoate
5r80 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5r7z title:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main
protease in complex with Z1220452176 [more info...]
Chain information for 5r7z #88
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5r7z #88
---
DMS — dimethyl sulfoxide
HWH — ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
5r7z mmCIF Assemblies
---
1| author_and_software_defined_assembly
6y2e title:
Crystal structure of the free enzyme of the SARS-CoV-2 (2019-nCoV) main
protease [more info...]
Chain information for 6y2e #89
---
Chain | Description
AAA | SARS-CoV-2 (2019-nCoV) main protease
6y2e mmCIF Assemblies
---
1| author_and_software_defined_assembly
6wnp title:
X-ray Structure of SARS-CoV-2 main protease bound to Boceprevir at 1.45 A
[more info...]
Chain information for 6wnp #90
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 6wnp #90
---
U5G —
(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-3-[N-(tert-
butylcarbamoyl)-3-methyl-L-
valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
6wnp mmCIF Assemblies
---
1| author_and_software_defined_assembly
6yb7 title:
SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus
disease 2019, COVID-19) [more info...]
Chain information for 6yb7 #91
---
Chain | Description
A | Replicase polyprotein 1ab
Non-standard residues in 6yb7 #91
---
DMS — dimethyl sulfoxide
6yb7 mmCIF Assemblies
---
1| author_and_software_defined_assembly
6wqf title:
Structural Plasticity of the SARS-CoV-2 3CL Mpro Active Site Cavity Revealed
by Room Temperature X-ray Crystallography [more info...]
Chain information for 6wqf #92
---
Chain | Description
A | 3C-like proteinase
6wqf mmCIF Assemblies
---
1| author_and_software_defined_assembly
5r84 title:
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main
protease in complex with Z31792168 [more info...]
Chain information for 5r84 #93
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5r84 #93
---
DMS — dimethyl sulfoxide
GWS — 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide
5r84 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5r7y title:
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main
protease in complex with Z45617795 [more info...]
Chain information for 5r7y #94
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5r7y #94
---
CL — chloride ion
DMS — dimethyl sulfoxide
JFM — N-(2-phenylethyl)methanesulfonamide
5r7y mmCIF Assemblies
---
1| author_and_software_defined_assembly
5r82 title:
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main
protease in complex with Z219104216 [more info...]
Chain information for 5r82 #95
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5r82 #95
---
DMS — dimethyl sulfoxide
RZS — 6-(ethylamino)pyridine-3-carbonitrile
5r82 mmCIF Assemblies
---
1| author_and_software_defined_assembly
5r81 title:
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main
protease in complex with Z1367324110 [more info...]
Chain information for 5r81 #96
---
Chain | Description
A | 3C-like proteinase
Non-standard residues in 5r81 #96
---
DMS — dimethyl sulfoxide
RZJ — 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide
5r81 mmCIF Assemblies
---
1| author_and_software_defined_assembly
6ynq title:
Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. [more
info...]
Chain information for 6ynq #97
---
Chain | Description
A | Replicase polyprotein 1ab
Non-standard residues in 6ynq #97
---
CL — chloride ion
DMS — dimethyl sulfoxide
P6N — (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one
6ynq mmCIF Assemblies
---
1| author_and_software_defined_assembly
6yt8 title:
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc [more info...]
Chain information for 6yt8 #98
---
Chain | Description
A | Replicase polyprotein 1ab
Non-standard residues in 6yt8 #98
---
CL — chloride ion
DMS — dimethyl sulfoxide
IMD — imidazole
PEG — di(hydroxyethyl)ether
PK8 — 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene
6yt8 mmCIF Assemblies
---
1| author_and_software_defined_assembly
6m03 title:
The crystal structure of COVID-19 main protease in apo form [more info...]
Chain information for 6m03 #99
---
Chain | Description
A | SARS-CoV-2 main protease
6m03 mmCIF Assemblies
---
1| author_and_software_defined_assembly
6m0k title:
The crystal structure of COVID-19 main protease in complex with an inhibitor
11b [more info...]
Chain information for 6m0k #100
---
Chain | Description
A | SARS-CoV-2 viral protease
D | icb-N0A-ell
Non-standard residues in 6m0k #100
---
DMS — dimethyl sulfoxide
ELL — (2S)-2-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propanal
ICB — 1H-indole-2-carboxylic acid
N0A — 3-fluoro-L-phenylalanine
6m0k mmCIF Assemblies
---
1| author_defined_assembly
6lze title:
The crystal structure of COVID-19 main protease in complex with an inhibitor
11a [more info...]
Chain information for 6lze #101
---
Chain | Description
A | SARS-CoV-2 viral protease
D | icb-alc-ell
Non-standard residues in 6lze #101
---
DMS — dimethyl sulfoxide
ELL — (2S)-2-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propanal
ICB — 1H-indole-2-carboxylic acid
6lze mmCIF Assemblies
---
1| author_and_software_defined_assembly
6y2g title:
Crystal structure (orthorhombic form) of the complex resulting from the
reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl
(1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
(alpha-ketoamide 13b) [more info...]
Chain information for 6y2g #102
---
Chain | Description
A B | SARS-CoV-2 (2019-nCoV) main protease
Non-standard residues in 6y2g #102
---
O6K — ~{tert}-butyl
~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-
pyridin-3-yl]carbamate
6y2f title:
Crystal structure (monoclinic form) of the complex resulting from the reaction
between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl
(1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
(alpha-ketoamide 13b) [more info...]
Chain information for 6y2f #103
---
Chain | Description
A | SARS-CoV-2 (2019-nCoV) main protease
Non-standard residues in 6y2f #103
---
DMS — dimethyl sulfoxide
O6K — ~{tert}-butyl
~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-
pyridin-3-yl]carbamate
6y2f mmCIF Assemblies
---
1| author_and_software_defined_assembly
6y84 title:
SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus
disease 2019, COVID-19) [more info...]
Chain information for 6y84 #104
---
Chain | Description
A | Replicase polyprotein 1ab
Non-standard residues in 6y84 #104
---
DMS — dimethyl sulfoxide
6y84 mmCIF Assemblies
---
1| author_and_software_defined_assembly
6lu7 title:
The crystal structure of COVID-19 main protease in complex with an inhibitor
N3 [more info...]
Chain information for 6lu7 #105
---
Chain | Description
A | Non-structural polyprotein 1ab
C | N-[(5-methylisoxazol-3-yl)carbonyl]alanyl-L-
valyl-N~1~-((1R,2Z)-4-(benzyloxy)-4-oxo-1-{[(3R)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide
Non-standard residues in 6lu7 #105
---
010 — phenylmethanol
02J — 5-methyl-1,2-oxazole-3-carboxylic acid
PJE — (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
6lu7 mmCIF Assemblies
---
1| author_and_software_defined_assembly
> mmaker #2-105/A to #1/A
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 5rgg, chain A (#1) with 5rgi, chain A (#2), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.155 angstroms; (across all 304 pairs:
0.155)
Matchmaker 5rgg, chain A (#1) with 5rgh, chain A (#3), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.183 angstroms; (across all 304 pairs:
0.183)
Matchmaker 5rgg, chain A (#1) with 5rg3, chain A (#4), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.171 angstroms; (across all 304 pairs:
0.171)
Matchmaker 5rgg, chain A (#1) with 5rg2, chain A (#5), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.195 angstroms; (across all 304 pairs:
0.195)
Matchmaker 5rgg, chain A (#1) with 5rg1, chain A (#6), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.210 angstroms; (across all 304 pairs:
0.210)
Matchmaker 5rgg, chain A (#1) with 5rgs, chain A (#7), sequence alignment
score = 1616.6
RMSD between 304 pruned atom pairs is 0.172 angstroms; (across all 304 pairs:
0.172)
Matchmaker 5rgg, chain A (#1) with 5rgr, chain A (#8), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.151 angstroms; (across all 304 pairs:
0.151)
Matchmaker 5rgg, chain A (#1) with 5rgk, chain A (#9), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.182 angstroms; (across all 304 pairs:
0.182)
Matchmaker 5rgg, chain A (#1) with 5rgj, chain A (#10), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.152 angstroms; (across all 304 pairs:
0.152)
Matchmaker 5rgg, chain A (#1) with 5rgm, chain A (#11), sequence alignment
score = 1610
RMSD between 304 pruned atom pairs is 0.195 angstroms; (across all 304 pairs:
0.195)
Matchmaker 5rgg, chain A (#1) with 5rgl, chain A (#12), sequence alignment
score = 1616.6
RMSD between 304 pruned atom pairs is 0.209 angstroms; (across all 304 pairs:
0.209)
Matchmaker 5rgg, chain A (#1) with 5rgo, chain A (#13), sequence alignment
score = 1616.6
RMSD between 304 pruned atom pairs is 0.163 angstroms; (across all 304 pairs:
0.163)
Matchmaker 5rgg, chain A (#1) with 5rgn, chain A (#14), sequence alignment
score = 1610
RMSD between 304 pruned atom pairs is 0.166 angstroms; (across all 304 pairs:
0.166)
Matchmaker 5rgg, chain A (#1) with 5rgq, chain A (#15), sequence alignment
score = 1598.6
RMSD between 304 pruned atom pairs is 0.174 angstroms; (across all 304 pairs:
0.174)
Matchmaker 5rgg, chain A (#1) with 5rgp, chain A (#16), sequence alignment
score = 1602.8
RMSD between 304 pruned atom pairs is 0.174 angstroms; (across all 304 pairs:
0.174)
Matchmaker 5rgg, chain A (#1) with 5r8t, chain A (#17), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.146 angstroms; (across all 304 pairs:
0.146)
Matchmaker 5rgg, chain A (#1) with 5rf2, chain A (#18), sequence alignment
score = 1610
RMSD between 304 pruned atom pairs is 0.134 angstroms; (across all 304 pairs:
0.134)
Matchmaker 5rgg, chain A (#1) with 5reo, chain A (#19), sequence alignment
score = 1610
RMSD between 304 pruned atom pairs is 0.186 angstroms; (across all 304 pairs:
0.186)
Matchmaker 5rgg, chain A (#1) with 5ren, chain A (#20), sequence alignment
score = 1592
RMSD between 301 pruned atom pairs is 0.246 angstroms; (across all 304 pairs:
0.353)
Matchmaker 5rgg, chain A (#1) with 5rfz, chain A (#21), sequence alignment
score = 1606.4
RMSD between 304 pruned atom pairs is 0.176 angstroms; (across all 304 pairs:
0.176)
Matchmaker 5rgg, chain A (#1) with 5rfy, chain A (#22), sequence alignment
score = 1606.4
RMSD between 304 pruned atom pairs is 0.239 angstroms; (across all 304 pairs:
0.239)
Matchmaker 5rgg, chain A (#1) with 5rfr, chain A (#23), sequence alignment
score = 1600.4
RMSD between 304 pruned atom pairs is 0.231 angstroms; (across all 304 pairs:
0.231)
Matchmaker 5rgg, chain A (#1) with 5rfq, chain A (#24), sequence alignment
score = 1613.6
RMSD between 304 pruned atom pairs is 0.203 angstroms; (across all 304 pairs:
0.203)
Matchmaker 5rgg, chain A (#1) with 5rft, chain A (#25), sequence alignment
score = 1610
RMSD between 304 pruned atom pairs is 0.201 angstroms; (across all 304 pairs:
0.201)
Matchmaker 5rgg, chain A (#1) with 5rfs, chain A (#26), sequence alignment
score = 1599.8
RMSD between 304 pruned atom pairs is 0.233 angstroms; (across all 304 pairs:
0.233)
Matchmaker 5rgg, chain A (#1) with 5rfv, chain A (#27), sequence alignment
score = 1610
RMSD between 304 pruned atom pairs is 0.203 angstroms; (across all 304 pairs:
0.203)
Matchmaker 5rgg, chain A (#1) with 5rfu, chain A (#28), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.214 angstroms; (across all 304 pairs:
0.214)
Matchmaker 5rgg, chain A (#1) with 5rfx, chain A (#29), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.207 angstroms; (across all 304 pairs:
0.207)
Matchmaker 5rgg, chain A (#1) with 5rfw, chain A (#30), sequence alignment
score = 1610
RMSD between 304 pruned atom pairs is 0.262 angstroms; (across all 304 pairs:
0.262)
Matchmaker 5rgg, chain A (#1) with 5rfj, chain A (#31), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.174 angstroms; (across all 304 pairs:
0.174)
Matchmaker 5rgg, chain A (#1) with 5rfi, chain A (#32), sequence alignment
score = 1603.4
RMSD between 304 pruned atom pairs is 0.224 angstroms; (across all 304 pairs:
0.224)
Matchmaker 5rgg, chain A (#1) with 5rfl, chain A (#33), sequence alignment
score = 1610
RMSD between 304 pruned atom pairs is 0.204 angstroms; (across all 304 pairs:
0.204)
Matchmaker 5rgg, chain A (#1) with 5rfk, chain A (#34), sequence alignment
score = 1606.4
RMSD between 304 pruned atom pairs is 0.227 angstroms; (across all 304 pairs:
0.227)
Matchmaker 5rgg, chain A (#1) with 5rfn, chain A (#35), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.186 angstroms; (across all 304 pairs:
0.186)
Matchmaker 5rgg, chain A (#1) with 5rfm, chain A (#36), sequence alignment
score = 1602.8
RMSD between 304 pruned atom pairs is 0.242 angstroms; (across all 304 pairs:
0.242)
Matchmaker 5rgg, chain A (#1) with 5rfp, chain A (#37), sequence alignment
score = 1595.6
RMSD between 304 pruned atom pairs is 0.306 angstroms; (across all 304 pairs:
0.306)
Matchmaker 5rgg, chain A (#1) with 5rfo, chain A (#38), sequence alignment
score = 1613.6
RMSD between 302 pruned atom pairs is 0.254 angstroms; (across all 304 pairs:
0.354)
Matchmaker 5rgg, chain A (#1) with 5rg0, chain A (#39), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.197 angstroms; (across all 304 pairs:
0.197)
Matchmaker 5rgg, chain A (#1) with 5rea, chain A (#40), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.178 angstroms; (across all 304 pairs:
0.178)
Matchmaker 5rgg, chain A (#1) with 5rec, chain A (#41), sequence alignment
score = 1616.6
RMSD between 304 pruned atom pairs is 0.170 angstroms; (across all 304 pairs:
0.170)
Matchmaker 5rgg, chain A (#1) with 5reb, chain A (#42), sequence alignment
score = 1610
RMSD between 302 pruned atom pairs is 0.257 angstroms; (across all 304 pairs:
0.312)
Matchmaker 5rgg, chain A (#1) with 5ree, chain A (#43), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.153 angstroms; (across all 304 pairs:
0.153)
Matchmaker 5rgg, chain A (#1) with 5red, chain A (#44), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.188 angstroms; (across all 304 pairs:
0.188)
Matchmaker 5rgg, chain A (#1) with 5reg, chain A (#45), sequence alignment
score = 1616.6
RMSD between 304 pruned atom pairs is 0.197 angstroms; (across all 304 pairs:
0.197)
Matchmaker 5rgg, chain A (#1) with 5ref, chain A (#46), sequence alignment
score = 1613.6
RMSD between 304 pruned atom pairs is 0.184 angstroms; (across all 304 pairs:
0.184)
Matchmaker 5rgg, chain A (#1) with 5re9, chain A (#47), sequence alignment
score = 1585.4
RMSD between 301 pruned atom pairs is 0.306 angstroms; (across all 304 pairs:
0.424)
Matchmaker 5rgg, chain A (#1) with 5re8, chain A (#48), sequence alignment
score = 1606.4
RMSD between 304 pruned atom pairs is 0.244 angstroms; (across all 304 pairs:
0.244)
Matchmaker 5rgg, chain A (#1) with 5re5, chain A (#49), sequence alignment
score = 1610
RMSD between 304 pruned atom pairs is 0.158 angstroms; (across all 304 pairs:
0.158)
Matchmaker 5rgg, chain A (#1) with 5re4, chain A (#50), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.202 angstroms; (across all 304 pairs:
0.202)
Matchmaker 5rgg, chain A (#1) with 5re7, chain A (#51), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.186 angstroms; (across all 304 pairs:
0.186)
Matchmaker 5rgg, chain A (#1) with 5re6, chain A (#52), sequence alignment
score = 1602.8
RMSD between 304 pruned atom pairs is 0.139 angstroms; (across all 304 pairs:
0.139)
Matchmaker 5rgg, chain A (#1) with 5rfb, chain A (#53), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.162 angstroms; (across all 304 pairs:
0.162)
Matchmaker 5rgg, chain A (#1) with 5rfa, chain A (#54), sequence alignment
score = 1602.2
RMSD between 301 pruned atom pairs is 0.171 angstroms; (across all 301 pairs:
0.171)
Matchmaker 5rgg, chain A (#1) with 5rfd, chain A (#55), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.145 angstroms; (across all 304 pairs:
0.145)
Matchmaker 5rgg, chain A (#1) with 5rfc, chain A (#56), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.146 angstroms; (across all 304 pairs:
0.146)
Matchmaker 5rgg, chain A (#1) with 5rff, chain A (#57), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.196 angstroms; (across all 304 pairs:
0.196)
Matchmaker 5rgg, chain A (#1) with 5rfe, chain A (#58), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.173 angstroms; (across all 304 pairs:
0.173)
Matchmaker 5rgg, chain A (#1) with 5rfh, chain A (#59), sequence alignment
score = 1584.8
RMSD between 301 pruned atom pairs is 0.244 angstroms; (across all 304 pairs:
0.342)
Matchmaker 5rgg, chain A (#1) with 5rfg, chain A (#60), sequence alignment
score = 1592
RMSD between 304 pruned atom pairs is 0.212 angstroms; (across all 304 pairs:
0.212)
Matchmaker 5rgg, chain A (#1) with 5rey, chain A (#61), sequence alignment
score = 1592
RMSD between 304 pruned atom pairs is 0.244 angstroms; (across all 304 pairs:
0.244)
Matchmaker 5rgg, chain A (#1) with 5rex, chain A (#62), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.255 angstroms; (across all 304 pairs:
0.255)
Matchmaker 5rgg, chain A (#1) with 5rf9, chain A (#63), sequence alignment
score = 1609.4
RMSD between 302 pruned atom pairs is 0.192 angstroms; (across all 304 pairs:
0.338)
Matchmaker 5rgg, chain A (#1) with 5rez, chain A (#64), sequence alignment
score = 1602.8
RMSD between 304 pruned atom pairs is 0.166 angstroms; (across all 304 pairs:
0.166)
Matchmaker 5rgg, chain A (#1) with 5rep, chain A (#65), sequence alignment
score = 1610
RMSD between 304 pruned atom pairs is 0.188 angstroms; (across all 304 pairs:
0.188)
Matchmaker 5rgg, chain A (#1) with 5rf1, chain A (#66), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.239 angstroms; (across all 304 pairs:
0.239)
Matchmaker 5rgg, chain A (#1) with 5res, chain A (#67), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.180 angstroms; (across all 304 pairs:
0.180)
Matchmaker 5rgg, chain A (#1) with 5rf4, chain A (#68), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.147 angstroms; (across all 304 pairs:
0.147)
Matchmaker 5rgg, chain A (#1) with 5rer, chain A (#69), sequence alignment
score = 1606.4
RMSD between 304 pruned atom pairs is 0.256 angstroms; (across all 304 pairs:
0.256)
Matchmaker 5rgg, chain A (#1) with 5rf3, chain A (#70), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.174 angstroms; (across all 304 pairs:
0.174)
Matchmaker 5rgg, chain A (#1) with 5reu, chain A (#71), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.173 angstroms; (across all 304 pairs:
0.173)
Matchmaker 5rgg, chain A (#1) with 5rf6, chain A (#72), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.149 angstroms; (across all 304 pairs:
0.149)
Matchmaker 5rgg, chain A (#1) with 5ret, chain A (#73), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.196 angstroms; (across all 304 pairs:
0.196)
Matchmaker 5rgg, chain A (#1) with 5rf5, chain A (#74), sequence alignment
score = 1613.6
RMSD between 304 pruned atom pairs is 0.131 angstroms; (across all 304 pairs:
0.131)
Matchmaker 5rgg, chain A (#1) with 5rew, chain A (#75), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.181 angstroms; (across all 304 pairs:
0.181)
Matchmaker 5rgg, chain A (#1) with 5rf8, chain A (#76), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.195 angstroms; (across all 304 pairs:
0.195)
Matchmaker 5rgg, chain A (#1) with 5rev, chain A (#77), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.173 angstroms; (across all 304 pairs:
0.173)
Matchmaker 5rgg, chain A (#1) with 5rf7, chain A (#78), sequence alignment
score = 1616.6
RMSD between 304 pruned atom pairs is 0.279 angstroms; (across all 304 pairs:
0.279)
Matchmaker 5rgg, chain A (#1) with 5rei, chain A (#79), sequence alignment
score = 1602.8
RMSD between 304 pruned atom pairs is 0.206 angstroms; (across all 304 pairs:
0.206)
Matchmaker 5rgg, chain A (#1) with 5reh, chain A (#80), sequence alignment
score = 1602.2
RMSD between 304 pruned atom pairs is 0.355 angstroms; (across all 304 pairs:
0.355)
Matchmaker 5rgg, chain A (#1) with 5rek, chain A (#81), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.183 angstroms; (across all 304 pairs:
0.183)
Matchmaker 5rgg, chain A (#1) with 5rej, chain A (#82), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.177 angstroms; (across all 304 pairs:
0.177)
Matchmaker 5rgg, chain A (#1) with 5rem, chain A (#83), sequence alignment
score = 1610
RMSD between 304 pruned atom pairs is 0.206 angstroms; (across all 304 pairs:
0.206)
Matchmaker 5rgg, chain A (#1) with 5rel, chain A (#84), sequence alignment
score = 1600.4
RMSD between 304 pruned atom pairs is 0.193 angstroms; (across all 304 pairs:
0.193)
Matchmaker 5rgg, chain A (#1) with 5rf0, chain A (#85), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.131 angstroms; (across all 304 pairs:
0.131)
Matchmaker 5rgg, chain A (#1) with 5r83, chain A (#86), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.167 angstroms; (across all 304 pairs:
0.167)
Matchmaker 5rgg, chain A (#1) with 5r80, chain A (#87), sequence alignment
score = 1595.6
RMSD between 304 pruned atom pairs is 0.263 angstroms; (across all 304 pairs:
0.263)
Matchmaker 5rgg, chain A (#1) with 5r7z, chain A (#88), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.214 angstroms; (across all 304 pairs:
0.214)
Matchmaker 5rgg, chain A (#1) with 6wnp, chain A (#90), sequence alignment
score = 1581.8
RMSD between 301 pruned atom pairs is 0.602 angstroms; (across all 304 pairs:
0.642)
Matchmaker 5rgg, chain A (#1) with 6yb7, chain A (#91), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.167 angstroms; (across all 304 pairs:
0.167)
Matchmaker 5rgg, chain A (#1) with 6wqf, chain A (#92), sequence alignment
score = 1602.8
RMSD between 304 pruned atom pairs is 0.452 angstroms; (across all 304 pairs:
0.452)
Matchmaker 5rgg, chain A (#1) with 5r84, chain A (#93), sequence alignment
score = 1595.6
RMSD between 302 pruned atom pairs is 0.287 angstroms; (across all 304 pairs:
0.334)
Matchmaker 5rgg, chain A (#1) with 5r7y, chain A (#94), sequence alignment
score = 1613
RMSD between 304 pruned atom pairs is 0.220 angstroms; (across all 304 pairs:
0.220)
Matchmaker 5rgg, chain A (#1) with 5r82, chain A (#95), sequence alignment
score = 1606.4
RMSD between 304 pruned atom pairs is 0.240 angstroms; (across all 304 pairs:
0.240)
Matchmaker 5rgg, chain A (#1) with 5r81, chain A (#96), sequence alignment
score = 1598.6
RMSD between 304 pruned atom pairs is 0.308 angstroms; (across all 304 pairs:
0.308)
Matchmaker 5rgg, chain A (#1) with 6ynq, chain A (#97), sequence alignment
score = 1606.7
RMSD between 304 pruned atom pairs is 0.276 angstroms; (across all 304 pairs:
0.276)
Matchmaker 5rgg, chain A (#1) with 6yt8, chain A (#98), sequence alignment
score = 1585.7
RMSD between 304 pruned atom pairs is 0.283 angstroms; (across all 304 pairs:
0.283)
Matchmaker 5rgg, chain A (#1) with 6m03, chain A (#99), sequence alignment
score = 1605.8
RMSD between 304 pruned atom pairs is 0.393 angstroms; (across all 304 pairs:
0.393)
Matchmaker 5rgg, chain A (#1) with 6m0k, chain A (#100), sequence alignment
score = 1587.9
RMSD between 299 pruned atom pairs is 0.655 angstroms; (across all 304 pairs:
1.544)
Matchmaker 5rgg, chain A (#1) with 6lze, chain A (#101), sequence alignment
score = 1573
RMSD between 295 pruned atom pairs is 0.635 angstroms; (across all 303 pairs:
1.132)
Matchmaker 5rgg, chain A (#1) with 6y2g, chain A (#102), sequence alignment
score = 1591.4
RMSD between 295 pruned atom pairs is 0.705 angstroms; (across all 301 pairs:
0.771)
Matchmaker 5rgg, chain A (#1) with 6y2f, chain A (#103), sequence alignment
score = 1577.6
RMSD between 299 pruned atom pairs is 0.563 angstroms; (across all 302 pairs:
0.674)
Matchmaker 5rgg, chain A (#1) with 6y84, chain A (#104), sequence alignment
score = 1609.4
RMSD between 304 pruned atom pairs is 0.186 angstroms; (across all 304 pairs:
0.186)
Matchmaker 5rgg, chain A (#1) with 6lu7, chain A (#105), sequence alignment
score = 1580.6
RMSD between 298 pruned atom pairs is 0.600 angstroms; (across all 304 pairs:
1.560)
> delete ~/A
> color tan
> color byhetero
> select ligand
3016 atoms, 2770 bonds, 2 pseudobonds, 102 models selected
> select ligand & ~:DMS
1696 atoms, 1777 bonds, 2 pseudobonds, 97 models selected
> color ligand & C & ~:DMS orange
> select clear
> sym #1 assembly 1
> close #89
> sym #1 assembly 1 copy true model #200
Expected a keyword
> usage sym
sym structures [symmetry] [center center point] [axis an axis vector]
[coordinateSystem a coordinate-system] [assembly a text string] [copies true
or false] [newModel true or false] [surfaceOnly true or false] [resolution a
number] [gridSpacing a number]
— create model copies
symmetry: symmetry
sym clear [structures]
— Remove model copies
> sym #1 copies true assembly 1 model #200
Expected a keyword
> sym #1 copies true assembly 1 model #200
Expected a keyword
OpenGL version: 4.1 ATI-3.8.24
OpenGL renderer: AMD Radeon Pro Vega 20 OpenGL Engine
OpenGL vendor: ATI Technologies Inc.Hardware:
Hardware Overview:
Model Name: MacBook Pro
Model Identifier: MacBookPro15,3
Processor Name: 8-Core Intel Core i9
Processor Speed: 2.4 GHz
Number of Processors: 1
Total Number of Cores: 8
L2 Cache (per Core): 256 KB
L3 Cache: 16 MB
Hyper-Threading Technology: Enabled
Memory: 32 GB
Boot ROM Version: 1037.100.362.0.0 (iBridge: 17.16.14281.0.0,0)
Software:
System Software Overview:
System Version: macOS 10.15.4 (19E287)
Kernel Version: Darwin 19.4.0
Time since boot: 22 days 17:24
Graphics/Displays:
Intel UHD Graphics 630:
Chipset Model: Intel UHD Graphics 630
Type: GPU
Bus: Built-In
VRAM (Dynamic, Max): 1536 MB
Vendor: Intel
Device ID: 0x3e9b
Revision ID: 0x0002
Automatic Graphics Switching: Supported
gMux Version: 5.0.0
Metal: Supported, feature set macOS GPUFamily2 v1
Radeon Pro Vega 20:
Chipset Model: Radeon Pro Vega 20
Type: GPU
Bus: PCIe
PCIe Lane Width: x8
VRAM (Total): 4 GB
Vendor: AMD (0x1002)
Device ID: 0x69af
Revision ID: 0x00c0
ROM Revision: 113-D2060I-087
VBIOS Version: 113-D20601MA0T-016
Option ROM Version: 113-D20601MA0T-016
EFI Driver Version: 01.01.087
Automatic Graphics Switching: Supported
gMux Version: 5.0.0
Metal: Supported, feature set macOS GPUFamily2 v1
Displays:
Color LCD:
Display Type: Built-In Retina LCD
Resolution: 2880 x 1800 Retina
Framebuffer Depth: 24-Bit Color (ARGB8888)
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: No
Connection Type: Internal
Change History (3)
comment:1 by , 6 years ago
| Component: | Unassigned → Command Line |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Incorrect commands easily lost |
comment:3 by , 5 years ago
| Resolution: | → fixed |
|---|---|
| Status: | accepted → closed |
Failed commands no longer get auto-selected, so it is not easy to accidentally erase them.
Note:
See TracTickets
for help on using tickets.
This is a problem, but I think I'm going to try a different solution: don't auto-select commands that fail. The point of auto-selecting the command after execution is so that you can easily type a new command. When a command fails, you typically want to edit the command, not type a new one. This also avoids the somewhat suboptimal situation of having non-functional commands in your command history.