8FY7

SARS-CoV-2 main protease in complex with covalent inhibitor

Summary for 8FY7

• Entry DOI: 10.2210/pdb8fy7/pdb
• Related: 8FY6
• Descriptor: 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide (3 entities in total)
• Functional Keywords: sars-cov-2 main protease, protease, non-structural protein, covalent inhibitor, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 68532.16

Authors

Fried, W.,Chen, X.S. (deposition date: 2023-01-25, release date: 2023-08-30, Last modification date: 2023-09-27)

• Primary citation: Ngo, C.,Fried, W.,Aliyari, S.,Feng, J.,Qin, C.,Zhang, S.,Yang, H.,Shanaa, J.,Feng, P.,Cheng, G.,Chen, X.S.,Zhang, C.; Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.; J.Med.Chem., 66:12237-12248, 2023; PubMed: 37595260; DOI: 10.1021/acs.jmedchem.3c00810

Experimental method

X-RAY DIFFRACTION (1.94 Å)