8EYJ

Crystal Structure of uncleaved SARS-CoV-2 Main Protease C145S mutant in complex with Nirmatrelvir

Replaces:  8DG3

Summary for 8EYJ

• Entry DOI: 10.2210/pdb8eyj/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: main protease, complex, nirmatrelvir, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 68878.30

Authors

Noske, G.D.,Godoy, A.S.,Oliva, G. (deposition date: 2022-10-27, release date: 2022-11-16, Last modification date: 2023-10-25)

• Primary citation: Noske, G.D.,Song, Y.,Fernandes, R.S.,Chalk, R.,Elmassoudi, H.,Koekemoer, L.,Owen, C.D.,El-Baba, T.J.,Robinson, C.V.,Oliva, G.,Godoy, A.S.; An in-solution snapshot of SARS-COV-2 main protease maturation process and inhibition.; Nat Commun, 14:1545-1545, 2023; PubMed: 36941262; DOI: 10.1038/s41467-023-37035-5

Experimental method

X-RAY DIFFRACTION (1.738 Å)