7SGH

SARS-CoV-2 Main Protease (Mpro) in Complex with ML124N

Summary for 7SGH

• Entry DOI: 10.2210/pdb7sgh/pdb
• Related: 7SET 7SF1 7SF3 7SFB 7SFH 7SFI
• Descriptor: 3C-like proteinase, (S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide (3 entities in total)
• Functional Keywords: sarscov2, sars-cov-2, coronavirus, main protease, protease, mpro, 3c-like proteinase, cl3pro, inhibitor, complex, covalent, adduct, ml124n, ketoamide, peptidomimetic, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 4
• Total formula weight: 137124.08

Authors

Westberg, M.,Fernandez, D.,Lin, M.Z. (deposition date: 2021-10-05, 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 (1.85 Å)