7RBZ

X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-017-20

Summary for 7RBZ

Entry DOI	10.2210/pdb7rbz/pdb
Descriptor	3C-like proteinase, 5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate (3 entities in total)
Functional Keywords	sars-cov-2, covid-19, 3clpro, mpro, 3cl, main, protease, inhibitor, covalent, structural genomics, center for structural genomics of infectious diseases, csgid, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains	1
Total formula weight	34100.25
Authors	Mesecar, A.D.,Anson, B.A.,Ghosh, A.K.,Center for Structural Genomics of Infectious Diseases (CSGID) (deposition date: 2021-07-06, release date: 2021-09-29, Last modification date: 2023-10-18)
Primary citation	Ghosh, A.K.,Raghavaiah, J.,Shahabi, D.,Yadav, M.,Anson, B.J.,Lendy, E.K.,Hattori, S.I.,Higashi-Kuwata, N.,Mitsuya, H.,Mesecar, A.D. Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies. J.Med.Chem., 64:14702-14714, 2021 Cited by PubMed: 34528437 DOI: 10.1021/acs.jmedchem.1c01214 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.65 Å)

Structure validation