7MMG

Crystal structure of HCV NS3/4A D168A protease in complex with NR02-58

Summary for 7MMG

• Entry DOI: 10.2210/pdb7mmg/pdb
• Descriptor: NS3/4A protease, ARGININE, 1-(trifluoromethyl)cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, ... (5 entities in total)
• Functional Keywords: ns3/4a protease, hepatitis c virus, drug resistance, protease inhibitor, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Hepacivirus C
• Total number of polymer chains: 2
• Total formula weight: 44383.93

Authors

Zephyr, J.,Schiffer, C.A. (deposition date: 2021-04-29, release date: 2022-03-09, Last modification date: 2023-10-18)

• Primary citation: Zephyr, J.,Nageswara Rao, D.,Vo, S.V.,Henes, M.,Kosovrasti, K.,Matthew, A.N.,Hedger, A.K.,Timm, J.,Chan, E.T.,Ali, A.,Kurt Yilmaz, N.,Schiffer, C.A.; Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.; J.Mol.Biol., 434:167503-167503, 2022; PubMed: 35183560; DOI: 10.1016/j.jmb.2022.167503

Experimental method

X-RAY DIFFRACTION (1.95 Å)