8OKK: Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2

PDB ID: 8OKKDownload
MMDB ID: 229879
PDB Deposition Date: 2023/3/28
Updated in MMDB: 2024/10
Experimental Method:
x-ray diffraction
Resolution: 1.63  Å
Source Organism:
Similar Structures:
Biological Unit for 8OKK: dimeric; determined by author
Molecular Components in 8OKK
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase Nsp5
Molecule annotation
Chemicals and Non-standard biopolymers (23 molecules)
1
2
tert-butyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamatetert-butyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate
2
4
ACETATE IONACETATE ION
3
5
1,2-ETHANEDIOL1,2-ETHANEDIOL
4
5
FORMIC ACIDFORMIC ACID
5
3
SODIUM IONSODIUM ION
6
2
CHLORIDE IONCHLORIDE ION
7
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
8
1
(4S)-2-METHYL-2,4-PENTANEDIOL(4S)-2-METHYL-2,4-PENTANEDIOL
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303