8V8E
Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain (residues 1-199-6H) in complex with ensitrelvir (ESV)
Summary for 8V8E
Entry DOI | 10.2210/pdb8v8e/pdb |
Related | 8V7T 8V7W |
Descriptor | 3C-like proteinase nsp5, peptide, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ... (4 entities in total) |
Functional Keywords | inhibitor complex, catalytic domain, cysteine protease, hydrolase |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) More |
Total number of polymer chains | 3 |
Total formula weight | 48032.05 |
Authors | Kovalevsky, A.,Coates, L. (deposition date: 2023-12-05, release date: 2024-05-29, Last modification date: 2024-06-12) |
Primary citation | Kovalevsky, A.,Aniana, A.,Coates, L.,Ghirlando, R.,Nashed, N.T.,Louis, J.M. Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease. J.Mol.Biol., 436:168616-168616, 2024 Cited by PubMed: 38762033DOI: 10.1016/j.jmb.2024.168616 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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