8CAC

Crystal structure of SARS-CoV-2 Mpro-H172Y mutant in complex with 13b-K

This is a non-PDB format compatible entry.

Summary for 8CAC

• Entry DOI: 10.2210/pdb8cac/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, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: mpro mutations main protease sars-cov-2, antiviral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 67976.91

Authors

Ibrahim, M.,El Kilani, H.,Hilgenfeld, R. (deposition date: 2023-01-24, release date: 2024-08-07, Last modification date: 2025-09-03)

• Primary citation: El Kilani, H.,Sun, X.,Ibrahim, M.F.,Curth, U.,Hilgenfeld, R.; 13b-K and Nirmatrelvir Resistance Mutations of SARS-CoV-2 Main Protease: Structural, Biochemical, and Biophysical Characterization of Free Enzymes and Inhibitor Complexes; Crystals, 15:-, 2025; DOI: 10.3390/cryst15090758

Experimental method

X-RAY DIFFRACTION (2.13 Å)