3CVK

Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor

Summary for 3CVK

• Entry DOI: 10.2210/pdb3cvk/pdb
• Related: 3CO9
• Descriptor: RNA-directed RNA polymerase, N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide (3 entities in total)
• Functional Keywords: protein-ligand complex, rna-directed rna polymerase, nucleotide-binding, nucleotidyltransferase, transferase
• Biological source: Hepatitis C virus (isolate BK)
• Cellular location: Core protein p21: Host endoplasmic reticulum membrane; Single-pass membrane protein. 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): P26663
• Total number of polymer chains: 2
• Total formula weight: 129714.71

Authors

Zhao, Q.,Showalter, R.E.,Han, Q.,Kissinger, C.R. (deposition date: 2008-04-18, release date: 2009-04-21, Last modification date: 2024-04-03)

• Primary citation: Ruebsam, F.,Sun, Z.,Ayida, B.K.,Webber, S.E.,Zhou, Y.,Zhao, Q.,Kissinger, C.R.,Showalter, R.E.,Shah, A.M.,Tsan, M.,Patel, R.,Lebrun, L.A.,Kamran, R.,Sergeeva, M.V.,Bartkowski, D.M.,Nolan, T.G.,Norris, D.A.,Kirkovsky, L.; Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase.; Bioorg.Med.Chem.Lett., 18:5002-5005, 2008; PubMed: 18722768; DOI: 10.1016/j.bmcl.2008.08.017

Experimental method

X-RAY DIFFRACTION (2.31 Å)