3GNV

HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 1b

Summary for 3GNV

• Entry DOI: 10.2210/pdb3gnv/pdb
• Related: 3CSO 3GNW 3GOL
• Descriptor: RNA-directed RNA polymerase, (11R)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, GLYCEROL, ... (4 entities in total)
• Functional Keywords: hepatitis c virus, 1.5-benzodiazepine, ns5b, sulfone, polymerase, apoptosis, atp-binding, capsid protein, cell membrane, endoplasmic reticulum, envelope protein, fusion protein, glycoprotein, helicase, host-virus interaction, hydrolase, interferon antiviral system evasion, lipid droplet, lipoprotein, membrane, metal-binding, mitochondrion, multifunctional enzyme, nucleotide-binding, nucleotidyltransferase, nucleus, oncogene, palmitate, phosphoprotein, protease, ribonucleoprotein, rna replication, rna-binding, rna-directed rna polymerase, secreted, serine protease, sh3-binding, thiol protease, transcription, transcription regulation, transferase, transmembrane, viral nucleoprotein, virion
• Biological source: Hepatitis C virus isolate (HCV)
• 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): O92972
• Total number of polymer chains: 2
• Total formula weight: 130852.74

Authors

De Bondt, H.,Nyanguile, O. (deposition date: 2009-03-18, release date: 2009-10-20, Last modification date: 2023-11-01)

• Primary citation: Vandyck, K.,Cummings, M.D.,Nyanguile, O.,Boutton, C.W.,Vendeville, S.,McGowan, D.,Devogelaere, B.,Amssoms, K.,Last, S.,Rombauts, K.,Tahri, A.,Lory, P.,Hu, L.,Beauchamp, D.A.,Simmen, K.,Raboisson, P.; Structure-based design of a benzodiazepine scaffold yields a potent allosteric inhibitor of hepatitis C NS5B RNA polymerase.; J.Med.Chem., 52:4099-4102, 2009; PubMed: 19507864; DOI: 10.1021/jm9005548

Experimental method

X-RAY DIFFRACTION (2.75 Å)