8R1Q

SARS-CoV-2 Mpro (Omicron, P132H+T169S) in complex with alpha-ketoamide 13b-K

Summary for 8R1Q

• Entry DOI: 10.2210/pdb8r1q/pdb
• Descriptor: 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate (3 entities in total)
• Functional Keywords: sars-cov-2; main protease; omicron; molecular dynamics; pro>his mutant; double mutant, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 68896.48

Authors

Sun, X.,Ibrahim, M.,Hilgenfeld, R. (deposition date: 2023-11-02, release date: 2024-11-13, Last modification date: 2025-04-09)

• Primary citation: Ibrahim, M.,Sun, X.,Martins de Oliveira, V.,Liu, R.,Clayton, J.,El Kilani, H.,Shen, J.,Hilgenfeld, R.; Why is the Omicron main protease of SARS-CoV-2 less stable than its wild-type counterpart? A crystallographic, biophysical, and theoretical study; Hlife, 2:419-433, 2024; DOI: 10.1016/j.hlife.2024.06.003

Experimental method

X-RAY DIFFRACTION (1.7 Å)