4IH6

Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds

4IH6 の概要

• エントリーDOI: 10.2210/pdb4ih6/pdb
• 関連するPDBエントリー: 4IH5 4IH7
• 分子名称: RNA-directed RNA polymerase, (5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione (3 entities in total)
• 機能のキーワード: fragment based drug design, 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 (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): P26663
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 127286.21

構造登録者

Harris, S.F.,Wong, A. (登録日: 2012-12-18, 公開日: 2013-07-03, 最終更新日: 2024-02-28)

• 主引用文献: Talamas, F.X.,Ao-Ieong, G.,Brameld, K.A.,Chin, E.,de Vicente, J.,Dunn, J.P.,Ghate, M.,Giannetti, A.M.,Harris, S.F.,Labadie, S.S.,Leveque, V.,Li, J.,Lui, A.S.,McCaleb, K.L.,Najera, I.,Schoenfeld, R.C.,Wang, B.,Wong, A.; De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.; J.Med.Chem., 56:3115-3119, 2013; PubMed: 23509929; DOI: 10.1021/jm4002605

実験手法

X-RAY DIFFRACTION (2.2 Å)