3MF5

Hepatitis C virus polymerase NS5B (BK) with amide bioisostere thumb site inhibitor

Summary for 3MF5

• Entry DOI: 10.2210/pdb3mf5/pdb
• Related: 2GIR
• Descriptor: RNA-directed RNA polymerase, 3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid, GLYCEROL, ... (4 entities in total)
• Functional Keywords: hcv, hepatitis, ns5b, transferase rna-dependent rna polymerase, transferase
• 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: 127554.55

Authors

Harris, S.F.,Tavares, G.,Ghate, M. (deposition date: 2010-04-01, release date: 2010-07-28, Last modification date: 2024-02-21)

• Primary citation: Yang, H.,Hendricks, R.T.,Arora, N.,Nitzan, D.,Yee, C.,Lucas, M.C.,Yang, Y.,Fung, A.,Rajyaguru, S.,Harris, S.F.,Leveque, V.J.,Hang, J.Q.,Pogam, S.L.,Reuter, D.,Tavares, G.A.; Cyclic amide bioisosterism: Strategic application to the design and synthesis of HCV NS5B polymerase inhibitors.; Bioorg.Med.Chem.Lett., 20:4614-4619, 2010; PubMed: 20584604; DOI: 10.1016/j.bmcl.2010.06.008

Experimental method

X-RAY DIFFRACTION (2 Å)