5VOJ

Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3

Summary for 5VOJ

• Entry DOI: 10.2210/pdb5voj/pdb
• Related: 5vp9
• Descriptor: NS4A cofactor -- NS3 protein chimera, tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)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, SULFATE ION, ... (5 entities in total)
• Functional Keywords: ns3/4a protease, hepatitis c virus, drug resistance, protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Hepatitis C virus subtype 1a; More
• Total number of polymer chains: 1
• Total formula weight: 22419.69

Authors

Matthew, A.N.,Schiffer, C.A. (deposition date: 2017-05-03, release date: 2017-06-21, Last modification date: 2023-10-04)

• Primary citation: Matthew, A.N.,Zephyr, J.,Hill, C.J.,Jahangir, M.,Newton, A.,Petropoulos, C.J.,Huang, W.,Kurt-Yilmaz, N.,Schiffer, C.A.,Ali, A.; Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.; J. Med. Chem., 60:5699-5716, 2017; PubMed: 28594175; DOI: 10.1021/acs.jmedchem.7b00426

Experimental method

X-RAY DIFFRACTION (1.799 Å)