4JJS

Crystal structure of HCV NS5B polymerase in complex with COMPOUND 2

4JJS の概要

• エントリーDOI: 10.2210/pdb4jjs/pdb
• 関連するPDBエントリー: 3MWV 4JJU
• 分子名称: Genome polyprotein, 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid, MAGNESIUM ION, ... (4 entities in total)
• 機能のキーワード: laval, hcv virus rdrp ns5b polymerase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Hepatitis C virus (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: 129083.37

構造登録者

Coulombe, R. (登録日: 2013-03-08, 公開日: 2013-06-12, 最終更新日: 2024-02-28)

• 主引用文献: Beaulieu, P.L.,Coulombe, R.,Duan, J.,Fazal, G.,Godbout, C.,Hucke, O.,Jakalian, A.,Joly, M.A.,Lepage, O.,Llinas-Brunet, M.,Naud, J.,Poirier, M.,Rioux, N.,Thavonekham, B.,Kukolj, G.,Stammers, T.A.; Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: Discovery of a quinazolinone chemotype.; Bioorg.Med.Chem.Lett., 23:4132-4140, 2013; PubMed: 23768906; DOI: 10.1016/j.bmcl.2013.05.037

実験手法

X-RAY DIFFRACTION (2.2 Å)