Brand  (β version)

PDB ID: 3H5U

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Ligands
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H5U N-({3-[(5s)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide PoSSuM
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Structure summary

Code : 3H5U   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Hepatitis C virus polymerase NS5B with saccharin inhibitor 1
Release Data : 2009-09-08
Compound :
mol_id molecule chains synonym
1 RNA-directed RNA polymerase A,B NS5B, p68
ec: 2.7.7.48
fragment: sequence database residues 2421-2989
Source :
mol_id organism_scientific expression_system
1 Hepatitis C virus  (taxid:11105) Escherichia coli  (taxid:562)
strain: BK
gene: NS5B
Authors : Harris, S.F., Ghate, M.
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
Exp. method : X-RAY DIFFRACTION ( 1.95 Å )
Citation :

Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides

de Vicente, J.,Hendricks, R.T.,Smith, D.B.  et al.
(2009)  Bioorg.Med.Chem.Lett.  19 : 5652 - 5656

PubMed: 19709881
DOI: 10.1016/j.bmcl.2009.08.022

Reaction

Chain : A, B
UniProt : P26663 (POLG_HCVBK)
Reaction: EC: Evidence:
Physiological Direction:
[Serine protease/helicase NS3]
Hydrolysis of four peptide bonds in the viral precursor polyprotein, commonly with Asp or Glu in the P6 position, Cys or Thr in P1 and Ser or Ala in P1'. 		3.4.21.98 UniProtKB:P27958
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[Serine protease/helicase NS3]
a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'- diphosphate + H(+) + phosphate 		3.6.1.15 UniProtKB:P27958
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[Serine protease/helicase NS3]
ATP + H2O = ADP + H(+) + phosphate 		3.6.4.13 UniProtKB:P27958
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[RNA-directed RNA polymerase]
a ribonucleoside 5'-triphosphate + RNA(n) = diphosphate + RNA(n+1) 		2.7.7.48 PROSITE-ProRule:PRU00539, PubMed:20194503, PubMed:9343198
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