8R16: Structure of compound 12 bound to SARS-CoV-2 main protease

PDB ID: 8R16Download
MMDB ID: 242372
PDB Deposition Date: 2023/11/1
Updated in MMDB: 2024/07
Experimental Method:
x-ray diffraction
Resolution: 1.3  Å
Source Organism:
Similar Structures:
Biological Unit for 8R16: dimeric; determined by author and by software (PISA)
Molecular Components in 8R16
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase
Molecule annotation
Chemicals and Non-standard biopolymers (13 molecules)
1
2
1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone
2
4
CHLORIDE IONCHLORIDE ION
3
2
BROMIDE IONBROMIDE ION
4
4
1,2-ETHANEDIOL1,2-ETHANEDIOL
5
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