3H5S

Hepatitis C virus polymerase NS5B with saccharin inhibitor

Summary for 3H5S

• Entry DOI: 10.2210/pdb3h5s/pdb
• Related: 2GIQ 3G86 3H59 3H5U
• Descriptor: RNA-directed RNA polymerase, (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one (3 entities in total)
• Functional Keywords: hcv, hepatitis, ns5b, transferase rna-dependent rna polymerase, 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, metal-binding, mitochondrion, multifunctional enzyme, nucleotide-binding, nucleotidyltransferase, nucleus, oncogene, palmitate, phosphoprotein, protease, ribonucleoprotein, rna replication, rna-binding, rna-directed rna polymerase, secreted, serine protease, sh3-binding, thiol protease, transcription, transcription regulation, transferase, transmembrane, ubl conjugation, viral nucleoprotein, virion, zinc
• Biological source: Hepatitis C virus
• 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: 129504.65

Authors

Harris, S.F.,Wong, A. (deposition date: 2009-04-22, release date: 2009-09-08, Last modification date: 2011-07-13)

• Primary citation: de Vicente, J.,Hendricks, R.T.,Smith, D.B.,Fell, J.B.,Fischer, J.,Spencer, S.R.,Stengel, P.J.,Mohr, P.,Robinson, J.E.,Blake, J.F.,Hilgenkamp, R.K.,Yee, C.,Adjabeng, G.,Elworthy, T.R.,Li, J.,Wang, B.,Bamberg, J.T.,Harris, S.F.,Wong, A.,Leveque, V.J.,Najera, I.,Le Pogam, S.,Rajyaguru, S.,Ao-Ieong, G.,Alexandrova, L.,Larrabee, S.,Brandl, M.,Briggs, A.,Sukhtankar, S.,Farrell, R.; Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides; Bioorg.Med.Chem.Lett., 19:5652-5656, 2009; PubMed: 19709881; DOI: 10.1016/j.bmcl.2009.08.022

Experimental method

X-RAY DIFFRACTION (2 Å)