7GNS: 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 MAT-POS-50a80394-1 (Mpro-P3050)

PDB ID: 7GNSDownload
MMDB ID: 238143
PDB Deposition Date: 2023/8/11
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.617  Å
Source Organism:
Similar Structures:
Biological Unit for 7GNS: dimeric; determined by author and by software (PISA)
Molecular Components in 7GNS
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase
Molecule annotation
Chemicals and Non-standard biopolymers (14 molecules)
1
11
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
2
1
CHLORIDE IONCHLORIDE ION
3
2
1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
* 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