7SI9

Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332

Summary for 7SI9

Entry DOI	10.2210/pdb7si9/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	cysteine protease, inhibitor complex, hydrolase
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains	1
Total formula weight	34327.09
Authors	Kovalevsky, A.,Kneller, D.W.,Coates, L. (deposition date: 2021-10-12, release date: 2021-10-20, Last modification date: 2023-10-18)
Primary citation	Kneller, D.W.,Li, H.,Phillips, G.,Weiss, K.L.,Zhang, Q.,Arnould, M.A.,Jonsson, C.B.,Surendranathan, S.,Parvathareddy, J.,Blakeley, M.P.,Coates, L.,Louis, J.M.,Bonnesen, P.V.,Kovalevsky, A. Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13:2268-, 2022 Cited by PubMed: 35477935 DOI: 10.1038/s41467-022-29915-z PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation