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8DIG:
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
PDB ID:
8DIG
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MMDB ID:
232123
PDB Deposition Date:
2022/6/29
Updated in MMDB:
2023/10
Experimental Method:
x-ray diffraction
Resolution:
2.45 Å
Source Organism:
Severe acute respiratory syndrome coronavirus 2
Similar Structures:
VAST+
Download sequence data
Biological Unit for 8DIG: dimeric; determined by author and by software (PISA)
Molecular Components in 8DIG
Label
Count
Molecule
Proteins (2 molecules)
A
B
2
3c-like Proteinase Nsp5
Chemical and Non-standard biopolymers (1 molecule)
1
1
(3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione
* 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