7L8J
SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21212)
Summary for 7L8J
Entry DOI | 10.2210/pdb7l8j/pdb |
Descriptor | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER (3 entities in total) |
Functional Keywords | sars-cov-2, sars2, covid19, protease, protease inhibitor, complex, hydrolase inhibitor complex, hydrolase, hydrolase-hydrolase inhibitor complex, rupintrivir, 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 | 34426.22 |
Authors | Lockbaum, G.J.,Henes, M.,Lee, J.M.,Timm, J.,Nalivaika, E.A.,Yilmaz, N.K.,Thompson, P.R.,Schiffer, C.A. (deposition date: 2020-12-31, release date: 2021-09-22, Last modification date: 2023-10-18) |
Primary citation | Lockbaum, G.J.,Henes, M.,Lee, J.M.,Timm, J.,Nalivaika, E.A.,Thompson, P.R.,Kurt Yilmaz, N.,Schiffer, C.A. Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60:2925-2931, 2021 Cited by PubMed: 34506130DOI: 10.1021/acs.biochem.1c00414 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.45 Å) |
Structure validation
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