4JTZ

Crystal structure of hcv ns5b polymerase in complex with compound 4

Summary for 4JTZ

• Entry DOI: 10.2210/pdb4jtz/pdb
• Related: 3MWV 4JTW 4JTY 4JU1 4JU2 4JU3 4JU4 4JU6 4JU7 4JVQ 4JY0 4JY1
• Descriptor: Genome polyprotein, GLYCEROL, 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-N-(pyridin-3-yl)-2-(trifluoromethyl)benzamide, ... (5 entities in total)
• Functional Keywords: rna-directed rna polymerase, transferase, 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 (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
• Total number of polymer chains: 2
• Total formula weight: 129993.57

Authors

Coulombe, R. (deposition date: 2013-03-24, release date: 2013-07-03, Last modification date: 2023-09-20)

• Primary citation: Hucke, O.,Coulombe, R.,Bonneau, P.,Bertrand-Laperle, M.,Brochu, C.,Gillard, J.,Joly, M.A.,Landry, S.,Lepage, O.,Llinas-Brunet, M.,Pesant, M.,Poirier, M.,Poirier, M.,McKercher, G.,Marquis, M.,Kukolj, G.,Beaulieu, P.L.,Stammers, T.A.; Molecular Dynamics Simulations and Structure-Based Rational Design Lead to Allosteric HCV NS5B Polymerase Thumb Pocket 2 Inhibitor with Picomolar Cellular Replicon Potency.; J.Med.Chem., 57:1932-1943, 2014; PubMed: 23773186; DOI: 10.1021/jm4004522

Experimental method

X-RAY DIFFRACTION (2.8 Å)