4JU1
Crystal structure of hcv ns5b polymerase in complex with compound 6
Summary for 4JU1
Entry DOI | 10.2210/pdb4ju1/pdb |
Related | 3MWV 4JTW 4JTY 4JTZ 4JU2 4JU3 4JU4 4JU6 4JU7 4JVQ 4JY0 4JY1 |
Descriptor | Genome polyprotein, GLYCEROL, 6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one, ... (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 | 129989.53 |
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 Cited by PubMed: 23773186DOI: 10.1021/jm4004522 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.9 Å) |
Structure validation
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