8V8G

Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain (residues 1-196) in complex with ensitrelvir (ESV)

Summary for 8V8G

• Entry DOI: 10.2210/pdb8v8g/pdb
• Related: 8V8E
• Descriptor: 3C-like proteinase nsp5, 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 (3 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)
• Total number of polymer chains: 2
• Total formula weight: 44357.22

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; PubMed: 38762033; DOI: 10.1016/j.jmb.2024.168616

Experimental method

X-RAY DIFFRACTION (1.9 Å)