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3GYN

Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor

Summary for 3GYN
Entry DOI10.2210/pdb3gyn/pdb
Related3IGV
DescriptorRNA-directed RNA polymerase, N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide (3 entities in total)
Functional Keywordsprotein-ligand complex, rna replication, rna-binding, rna-directed rna polymerase, metal-binding, nucleotide-binding, nucleotidyltransferase, transcription, transferase, acetylation, apoptosis, atp-binding, capsid protein, cell membrane, cytoplasm, disulfide bond, endoplasmic reticulum, envelope protein, fusion protein, glycoprotein, helicase, host-virus interaction, hydrolase, interferon antiviral system evasion, lipid droplet, lipoprotein, membrane, mitochondrion, multifunctional enzyme, nucleus, oncogene, palmitate, phosphoprotein, protease, ribonucleoprotein, secreted, serine protease, sh3-binding, thiol protease, transcription regulation, transmembrane, ubl conjugation, viral nucleoprotein, virion, zinc
Biological sourceHepatitis C virus (isolate BK) (HCV)
Cellular locationCore 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 chains2
Total formula weight129768.84
Authors
Zhao, Q.,Showalter, R.E.,Han, Q.,Kissinger, C.R. (deposition date: 2009-04-04, release date: 2009-12-08, Last modification date: 2024-02-21)
Primary citationEllis, D.A.,Blazel, J.K.,Tran, C.V.,Ruebsam, F.,Murphy, D.E.,Li, L.S.,Zhao, J.,Zhou, Y.,McGuire, H.M.,Xiang, A.X.,Webber, S.E.,Zhao, Q.,Han, Q.,Kissinger, C.R.,Lardy, M.,Gobbi, A.,Showalter, R.E.,Shah, A.M.,Tsan, M.,Patel, R.A.,LeBrun, L.A.,Kamran, R.,Bartkowski, D.M.,Nolan, T.G.,Norris, D.A.,Sergeeva, M.V.,Kirkovsky, L.
5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19:6047-6052, 2009
Cited by
PubMed: 19796938
DOI: 10.1016/j.bmcl.2009.09.051
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.15 Å)
Structure validation

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