8P57: Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar X77

PDB ID: 8P57Download
MMDB ID: 246111
PDB Deposition Date: 2023/5/23
Updated in MMDB: 2024/05
Experimental Method:
x-ray diffraction
Resolution: 1.6  Å
Source Organism:
Similar Structures:
Biological Unit for 8P57: dimeric; determined by author and by software
Molecular Components in 8P57
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase Nsp5
Molecule annotation
Chemicals and Non-standard biopolymers (12 molecules)
1
1
CHLORIDE IONCHLORIDE ION
2
1
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamideN-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide
3
7
1,2-ETHANEDIOL1,2-ETHANEDIOL
4
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
5
2
SODIUM IONSODIUM ION
* 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