7L8I

SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21)

Summary for 7L8I

• Entry DOI: 10.2210/pdb7l8i/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: 2
• Total formula weight: 68852.45

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; PubMed: 34506130; DOI: 10.1021/acs.biochem.1c00414

Experimental method

X-RAY DIFFRACTION (2.1 Å)