7SET

SARS-CoV-2 Main Protease (Mpro) in Complex with ML1000

Summary for 7SET

Entry DOI	10.2210/pdb7set/pdb
Related	7SF1 7SF3 7SFB 7SFH 7SFI 7SGH
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}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, CHLORIDE ION, ... (4 entities in total)
Functional Keywords	sarscov2, sars-cov-2, coronavirus, main protease, protease, mpro, 3c-like proteinase, cl3pro, inhibitor, complex, covalent, adduct, ml1000, 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	34411.69
Authors	Westberg, M.,Fernandez, D.,Lin, M.Z. (deposition date: 2021-10-01, release date: 2022-10-05, Last modification date: 2024-04-17)
Primary citation	Westberg, M.,Su, Y.,Zou, X.,Huang, P.,Rustagi, A.,Garhyan, J.,Patel, P.B.,Fernandez, D.,Wu, Y.,Hao, C.,Lo, C.W.,Karim, M.,Ning, L.,Beck, A.,Saenkham-Huntsinger, P.,Tat, V.,Drelich, A.,Peng, B.H.,Einav, S.,Tseng, C.K.,Blish, C.,Lin, M.Z. An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16:eadi0979-eadi0979, 2024 Cited by PubMed: 38478629 DOI: 10.1126/scitranslmed.adi0979 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation