3GNW

HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 4c

3GNW の概要

• エントリーDOI: 10.2210/pdb3gnw/pdb
• 関連するPDBエントリー: 3CSO 3GNV 3GOL
• 分子名称: RNA-directed RNA polymerase, (11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: 1, 5-benzodiazepines, hepatitis c virus, ns5b, polymerase, sulfone, 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
• 由来する生物種: Hepatitis C virus isolate (HCV)
• 細胞内の位置: Core protein p21: Host endoplasmic reticulum membrane ; Single-pass membrane protein . Core protein p19: Virion . Envelope glycoprotein E1: Virion membrane ; Single-pass type I membrane protein . Envelope glycoprotein E2: Virion membrane ; Single-pass type I membrane protein . p7: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Protease NS2-3: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Serine protease NS3: Host endoplasmic reticulum membrane ; Peripheral membrane protein . Non-structural protein 4A: Host endoplasmic reticulum membrane ; Single-pass type I membrane protein . Non-structural protein 4B: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Non-structural protein 5A: Host endoplasmic reticulum membrane ; Peripheral membrane protein . RNA-directed RNA polymerase: Host endoplasmic reticulum membrane ; Single-pass type I membrane protein : O92972
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 130968.28

構造登録者

Nyanguile, O.,De Bondt, H. (登録日: 2009-03-18, 公開日: 2009-10-20, 最終更新日: 2023-11-01)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.39 Å)