4IH6

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

Summary for 4IH6

• Entry DOI: 10.2210/pdb4ih6/pdb
• Related: 4IH5 4IH7
• Descriptor: RNA-directed RNA polymerase, (5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione (3 entities in total)
• Functional Keywords: fragment based drug design, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Hepatitis C virus (HCV)
• Cellular location: 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
• Total number of polymer chains: 2
• Total formula weight: 127286.21

Authors

Harris, S.F.,Wong, A. (deposition date: 2012-12-18, release date: 2013-07-03, Last modification date: 2024-02-28)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.2 Å)