4JVQ
Crystal structure of hcv ns5b polymerase in complex with compound 9
Summary for 4JVQ
Entry DOI | 10.2210/pdb4jvq/pdb |
Related | 3MWV 4JTY 4JTZ 4JU1 4JU2 4JU3 4JU4 4JU6 4JU7 4JVQ 4JY0 4JY1 |
Descriptor | Genome polyprotein, GLYCEROL, 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid, ... (5 entities in total) |
Functional Keywords | rna-directed rna polymerase, transferase, transferase-transferase inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase 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 | 129941.96 |
Authors | Coulombe, R. (deposition date: 2013-03-26, release date: 2014-02-05, Last modification date: 2023-09-20) |
Primary citation | Laplante, S.R.,Forgione, P.,Boucher, C.,Coulombe, R.,Gillard, J.,Hucke, O.,Jakalian, A.,Joly, M.A.,Kukolj, G.,Lemke, C.,McCollum, R.,Titolo, S.,Beaulieu, P.L.,Stammers, T. Enantiomeric Atropisomers Inhibit HCV Polymerase and/or HIV Matrix: Characterizing Hindered Bond Rotations and Target Selectivity. J.Med.Chem., 57:1944-1951, 2014 Cited by PubMed: 24024973DOI: 10.1021/jm401202a PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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