8H4Y

Crystal Structure of SARS-CoV-2 Main Protease (Mpro) F140L Mutant in Complex with Inhibitor Nirmatrelvir

Summary for 8H4Y

• Entry DOI: 10.2210/pdb8h4y/pdb
• Descriptor: 3C-like proteinase nsp5, (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total)
• Functional Keywords: sars-cov-2, mutant, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 1
• Total formula weight: 34293.07

Authors

Lin, M.,Liu, X. (deposition date: 2022-10-11, release date: 2023-10-11, Last modification date: 2023-10-25)

• Primary citation: Duan, Y.,Zhou, H.,Liu, X.,Iketani, S.,Lin, M.,Zhang, X.,Bian, Q.,Wang, H.,Sun, H.,Hong, S.J.,Culbertson, B.,Mohri, H.,Luck, M.I.,Zhu, Y.,Liu, X.,Lu, Y.,Yang, X.,Yang, K.,Sabo, Y.,Chavez, A.,Goff, S.P.,Rao, Z.,Ho, D.D.,Yang, H.; Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.; Nature, 622:376-382, 2023; PubMed: 37696289; DOI: 10.1038/s41586-023-06609-0

Experimental method

X-RAY DIFFRACTION (2.25 Å)