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; PubMed: 24024973; DOI: 10.1021/jm401202a

Experimental method

X-RAY DIFFRACTION (2.4 Å)