7TE0

Structure of the SARS-CoV-2 main protease in complex with inhibitor PF-07321332

Summary for 7TE0

Entry DOI	10.2210/pdb7te0/pdb
Descriptor	3C-like proteinase, (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 (3 entities in total)
Functional Keywords	main protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
Total number of polymer chains	1
Total formula weight	34327.09
Authors	Yang, K.S.,Liu, W.R. (deposition date: 2022-01-03, release date: 2022-01-12, Last modification date: 2023-10-18)
Primary citation	Yang, K.S.,Leeuwon, S.Z.,Xu, S.,Liu, W.R. Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir. J.Med.Chem., 65:8686-8698, 2022 Cited by PubMed: 35731933 DOI: 10.1021/acs.jmedchem.2c00404 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation