4KE5

HCV NS5B GT1B N316Y with GSK5852

Summary for 4KE5

• Entry DOI: 10.2210/pdb4ke5/pdb
• Related: 4KAI 4KB7 4KBI 4KHM 4KHR
• Descriptor: HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid (3 entities in total)
• Functional Keywords: hcv polymerase, hcv ns5b, site iv inhibitor, boron, p66, p70, rna directed rna polymerase, polymerase, rna replication, replication-replication inhibitor complex, replication/replication 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: 131587.77

Authors

Williams, S.P.,Kahler, K.M.,Shotwell, J.B. (deposition date: 2013-04-25, release date: 2013-05-15, Last modification date: 2024-03-13)

• Primary citation: Maynard, A.,Crosby, R.M.,Ellis, B.,Hamatake, R.,Hong, Z.,Johns, B.A.,Kahler, K.M.,Koble, C.,Leivers, A.,Leivers, M.R.,Mathis, A.,Peat, A.J.,Pouliot, J.J.,Roberts, C.D.,Samano, V.,Schmidt, R.M.,Smith, G.K.,Spaltenstein, A.,Stewart, E.L.,Thommes, P.,Turner, E.M.,Voitenleitner, C.,Walker, J.T.,Waitt, G.,Weatherhead, J.,Weaver, K.,Williams, S.,Wright, L.,Xiong, Z.Z.,Haigh, D.,Shotwell, J.B.; Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.; J.Med.Chem., 57:1902-1913, 2014; PubMed: 23672667; DOI: 10.1021/jm400317w

Experimental method

X-RAY DIFFRACTION (2.11 Å)