4JJS

Crystal structure of HCV NS5B polymerase in complex with COMPOUND 2

Summary for 4JJS

• Entry DOI: 10.2210/pdb4jjs/pdb
• Related: 3MWV 4JJU
• Descriptor: Genome polyprotein, 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid, MAGNESIUM ION, ... (4 entities in total)
• Functional Keywords: laval, hcv virus rdrp ns5b 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 . Core protein p19: Virion . Envelope glycoprotein E1: Virion membrane ; Single-pass type I membrane protein . Envelope glycoprotein E2: Virion membrane ; Single-pass type I membrane protein . p7: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Protease NS2-3: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Serine protease NS3: Host endoplasmic reticulum membrane ; Peripheral membrane protein . Non-structural protein 4A: Host endoplasmic reticulum membrane ; Single-pass type I membrane protein . Non-structural protein 4B: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Non-structural protein 5A: Host endoplasmic reticulum membrane ; Peripheral membrane protein . RNA-directed RNA polymerase: Host endoplasmic reticulum membrane ; Single-pass type I membrane protein : O92972
• Total number of polymer chains: 2
• Total formula weight: 129083.37

Authors

Coulombe, R. (deposition date: 2013-03-08, release date: 2013-06-12, Last modification date: 2024-02-28)

• Primary citation: Beaulieu, P.L.,Coulombe, R.,Duan, J.,Fazal, G.,Godbout, C.,Hucke, O.,Jakalian, A.,Joly, M.A.,Lepage, O.,Llinas-Brunet, M.,Naud, J.,Poirier, M.,Rioux, N.,Thavonekham, B.,Kukolj, G.,Stammers, T.A.; Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: Discovery of a quinazolinone chemotype.; Bioorg.Med.Chem.Lett., 23:4132-4140, 2013; PubMed: 23768906; DOI: 10.1016/j.bmcl.2013.05.037

Experimental method

X-RAY DIFFRACTION (2.2 Å)