7SFI

SARS-CoV-2 Main Protease (Mpro) in Complex with ML104

Summary for 7SFI

• Entry DOI: 10.2210/pdb7sfi/pdb
• Descriptor: 3C-like proteinase, (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, CHLORIDE ION, ... (5 entities in total)
• Functional Keywords: sarscov2, sars-cov-2, coronavirus, main protease, protease, mpro, 3c-like proteinase, cl3pro, inhibitor, complex, covalent, adduct, ml104, ketoamide, peptidomimetic, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 1
• Total formula weight: 34426.60

Authors

Westberg, M.,Fernandez, D.,Lin, M.Z. (deposition date: 2021-10-03, release date: 2022-10-05, Last modification date: 2023-10-18)

• Primary citation: Westberg, M.,Su, Y.,Zou, X.,Rustagi, A.,Beck, A.,Ning, L.,Fernandez, D.,Blish, C.,Lin, M.Z.; Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.95 Å)