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9AVQ:
Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor Nirmatrelvir
PDB ID:
9AVQ
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MMDB ID:
245975
PDB Deposition Date:
2024/3/4
Updated in MMDB:
2024/04
Experimental Method:
x-ray diffraction
Resolution:
2.58 Å
Source Organism:
Severe acute respiratory syndrome coronavirus 2
Similar Structures:
VAST+
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Biological Unit for 9AVQ: dimeric; determined by author and by software (PISA)
Molecular Components in 9AVQ
Label
Count
Molecule
Proteins (2 molecules)
A
A_1
2
3c-like Proteinase Nsp5
Chemicals and Non-standard biopolymers (4 molecules)
1
2
(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
2
2
DI(HYDROXYETHYL)ETHER
* 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