4JJU
Crystal structure of HCV NS5B polymerase in complex with COMPOUND 29
Summary for 4JJU
Entry DOI | 10.2210/pdb4jju/pdb |
Related | 3MWV 4JJS |
Descriptor | Genome polyprotein, GLYCEROL, 1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1H)-one, ... (5 entities in total) |
Functional Keywords | 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 | 129719.34 |
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 Cited by PubMed: 23768906DOI: 10.1016/j.bmcl.2013.05.037 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.91 Å) |
Structure validation
Download full validation report