8HEF: The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2

PDB ID: 8HEFDownload
MMDB ID: 229296
PDB Deposition Date: 2022/11/8
Updated in MMDB: 2023/09
Experimental Method:
x-ray diffraction
Resolution: 1.51  Å
Source Organism:
Similar Structures:
Biological Unit for 8HEF: dimeric; determined by author and by software (PISA)
Molecular Components in 8HEF
Label Count Molecule
Proteins (2 molecules)
2
3c-like Proteinase
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
2
6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
2
1
GLYCEROLGLYCEROL
* 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