3Q0Z

Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid

Summary for 3Q0Z

• Entry DOI: 10.2210/pdb3q0z/pdb
• Descriptor: RNA-directed RNA polymerase, (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, SULFATE ION, ... (4 entities in total)
• Functional Keywords: ns5b, polymerase, hcv, fingers, palm, thumb, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Hepatitis C virus subtype 1b
• Cellular location: Core protein p21: Host endoplasmic reticulum membrane; Single-pass membrane protein (By similarity). Core protein p19: Virion (By similarity). Envelope glycoprotein E1: Virion membrane; Single-pass type I membrane protein (Potential). Envelope glycoprotein E2: Virion membrane; Single-pass type I membrane protein (Potential). p7: Host endoplasmic reticulum membrane; Multi-pass membrane protein (By similarity). Protease NS2-3: Host endoplasmic reticulum membrane; Multi-pass membrane protein (Potential). Serine protease NS3: Host endoplasmic reticulum membrane; Peripheral membrane protein (By similarity). Non-structural protein 4A: Host endoplasmic reticulum membrane; Single-pass type I membrane protein (Potential). Non-structural protein 4B: Host endoplasmic reticulum membrane; Multi-pass membrane protein (By similarity). Non-structural protein 5A: Host endoplasmic reticulum membrane; Peripheral membrane protein (By similarity). RNA-directed RNA polymerase: Host endoplasmic reticulum membrane; Single-pass type I membrane protein (Potential): Q9WMX2
• Total number of polymer chains: 2
• Total formula weight: 130145.13

Authors

Sheriff, S. (deposition date: 2010-12-16, release date: 2011-04-27, Last modification date: 2023-09-13)

• Primary citation: Zheng, X.,Hudyma, T.W.,Martin, S.W.,Bergstrom, C.,Ding, M.,He, F.,Romine, J.,Poss, M.A.,Kadow, J.F.,Chang, C.H.,Wan, J.,Witmer, M.R.,Morin, P.,Camac, D.M.,Sheriff, S.,Beno, B.R.,Rigat, K.L.,Wang, Y.K.,Fridell, R.,Lemm, J.,Qiu, D.,Liu, M.,Voss, S.,Pelosi, L.,Roberts, S.B.,Gao, M.,Knipe, J.,Gentles, R.G.; Syntheses and initial evaluation of a series of indolo-fused heterocyclic inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus.; Bioorg.Med.Chem.Lett., 21:2925-2929, 2011; PubMed: 21486696; DOI: 10.1016/j.bmcl.2011.03.067

Experimental method

X-RAY DIFFRACTION (2.29 Å)