7K40

Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution

Summary for 7K40

Entry DOI	10.2210/pdb7k40/pdb
Related	7JYC
Descriptor	3C-like proteinase, boceprevir (bound form), DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywords	sars-cov-2, main protease, 3clpro/mpro, boceprevir, viral protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains	1
Total formula weight	34737.90
Authors	Kumaran, D.,Andi, B.,Kreitler, D.F.,Soares, A.S.,Shi, W.,Jakoncic, J.,Fuchs, M.R.,Keereetaweep, J.,Shanklin, J.,McSweeney, S. (deposition date: 2020-09-14, release date: 2020-09-23, 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 Cited by PubMed: 35842458 DOI: 10.1038/s41598-022-15930-z PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.35 Å)

Structure validation