4A92

Full-length HCV NS3-4A protease-helicase in complex with a macrocyclic protease inhibitor.

Summary for 4A92

• Entry DOI: 10.2210/pdb4a92/pdb
• Related: 1A1Q 1BT7 1C2P 1CSJ 1CU1 1GX5 1GX6 1JXP 1NHU 1NHV 1NS3 1OS5 1QUV 2AWZ 2AX0 2AX1 2BRK 2BRL 2I1R 2JC0 2JC1 2WCX 2WHO 2XWY 8OHM
• Descriptor: SERINE PROTEASE NS3, ZINC ION, (1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE, ... (4 entities in total)
• Functional Keywords: hydrolase, drug design
• Biological source: HEPATITIS C VIRUS (HCV)
• Total number of polymer chains: 2
• Total formula weight: 143513.55

Authors

Schiering, N.,D'Arcy, A.,Simic, O.,Eder, J.,Raman, P.,Svergun, D.I.,Bodendorf, U. (deposition date: 2011-11-23, release date: 2011-12-28, Last modification date: 2019-05-08)

• Primary citation: Schiering, N.,D'Arcy, A.,Villard, F.,Simic, O.,Kamke, M.,Monnet, G.,Hassiepen, U.,Svergun, D.I.,Pulfer, R.,Eder, J.,Raman, P.,Bodendorf, U.; A Macrocyclic Hcv Ns3/4A Protease Inhibitor Interacts with Protease and Helicase Residues in the Complex with its Full- Length Target.; Proc.Natl.Acad.Sci.USA, 108:21052-, 2011; PubMed: 22160684; DOI: 10.1073/PNAS.1110534108

Experimental method

X-RAY DIFFRACTION (2.73 Å)