4JU7

Crystal structure of hcv ns5b polymerase in complex with compound 24

4JU7 の概要

• エントリーDOI: 10.2210/pdb4ju7/pdb
• 関連するPDBエントリー: 3MWV 4JTW 4JTY 4JTZ 4JU1 4JU2 4JU3 4JU4 4JU6 4JVQ 4JY0 4JY1
• 分子名称: Genome polyprotein, 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid, MAGNESIUM ION, ... (4 entities in total)
• 機能のキーワード: rna-directed rna 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 (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
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 129015.38

構造登録者

Coulombe, R. (登録日: 2013-03-24, 公開日: 2013-11-27, 最終更新日: 2023-09-20)

• 主引用文献: Stammers, T.A.,Coulombe, R.,Duplessis, M.,Fazal, G.,Gagnon, A.,Garneau, M.,Goulet, S.,Jakalian, A.,Laplante, S.,Rancourt, J.,Thavonekham, B.,Wernic, D.,Kukolj, G.,Beaulieu, P.L.; Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay.; Bioorg.Med.Chem.Lett., 23:6879-6885, 2013; PubMed: 24176401; DOI: 10.1016/j.bmcl.2013.09.102

実験手法

X-RAY DIFFRACTION (2.2 Å)