8FTC

Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor

Summary for 8FTC

• Entry DOI: 10.2210/pdb8ftc/pdb
• Related: 6WTM
• Descriptor: 3C-like proteinase nsp5, (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total)
• Functional Keywords: sars-cov-2, main protease, inhibitor, inhibitory activity, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34323.13

Authors

Chen, P.,Khan, M.B.,Lu, J.,Arutyunova, E.,Young, H.S.,Lemieux, M.J. (deposition date: 2023-01-11, release date: 2023-12-06, Last modification date: 2024-01-10)

• Primary citation: Arutyunova, E.,Belovodskiy, A.,Chen, P.,Khan, M.B.,Joyce, M.,Saffran, H.,Lu, J.,Turner, Z.,Bai, B.,Lamer, T.,Young, H.S.,Vederas, J.C.,Tyrrell, D.L.,Lemieux, M.J.,Nieman, J.A.; The Effect of Deuteration and Homologation of the Lactam Ring of Nirmatrelvir on Its Biochemical Properties and Oxidative Metabolism.; Acs Bio Med Chem Au, 3:528-541, 2023; PubMed: 38144257; DOI: 10.1021/acsbiomedchemau.3c00039

Experimental method

X-RAY DIFFRACTION (2 Å)