7GJW: Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with KAD-UNI-80f122c8-2 (Mpro-P0743)

PDB ID: 7GJWDownload
MMDB ID: 238003
PDB Deposition Date: 2023/8/11
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 2.456  Å
Source Organism:
Similar Structures:
Biological Unit for 7GJW: dimeric; determined by author and by software (PISA)
Molecular Components in 7GJW
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase
Molecule annotation
Chemicals and Non-standard biopolymers (11 molecules)
1
9
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
2
1
CHLORIDE IONCHLORIDE ION
3
1
(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
* 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