7RC0
X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-091-20
Summary for 7RC0
Entry DOI | 10.2210/pdb7rc0/pdb |
Descriptor | 3C-like proteinase, 5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate, SODIUM ION, ... (4 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 | 34135.25 |
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: 34528437DOI: 10.1021/acs.jmedchem.1c01214 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.65 Å) |
Structure validation
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