7JYC

Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir

Summary for 7JYC

• Entry DOI: 10.2210/pdb7jyc/pdb
• Descriptor: 3C-like proteinase, (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, DIMETHYL SULFOXIDE, ... (5 entities in total)
• Functional Keywords: sars-cov-2, main protease, 3clpro/mpro, narlaprevir, 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: 34871.05

Authors

Andi, B.,Kumaran, D.,Kreitler, D.F.,Soares, A.S.,Shi, W.,Jakoncic, J.,Fuchs, M.R.,Keereetaweep, J.,Shanklin, J.,McSweeney, S. (deposition date: 2020-08-30, release date: 2020-09-09, Last modification date: 2023-10-18)

• Primary citation: Andi, B.,Kumaran, D.,Kreitler, D.F.,Soares, A.S.,Keereetaweep, J.,Jakoncic, J.,Lazo, E.O.,Shi, W.,Fuchs, M.R.,Sweet, R.M.,Shanklin, J.,Adams, P.D.,Schmidt, J.G.,Head, M.S.,McSweeney, S.; Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.; Sci Rep, 12:12197-12197, 2022; PubMed: 35842458; DOI: 10.1038/s41598-022-15930-z

Experimental method

X-RAY DIFFRACTION (1.79 Å)