8R12: Structure of compound 8 bound to SARS-CoV-2 main protease

PDB ID: 8R12Download
MMDB ID: 242370
PDB Deposition Date: 2023/11/1
Updated in MMDB: 2024/07
Experimental Method:
x-ray diffraction
Resolution: 1.587  Å
Source Organism:
Similar Structures:
Biological Unit for 8R12: dimeric; determined by author
Molecular Components in 8R12
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
2
2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile
2
1
CHLORIDE IONCHLORIDE ION
3
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
4
1
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