Brand  (β version)

PDB ID: 5W2E

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Ligands
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9VY 2-(4-fluorophenyl)-5-(11-fluoro-6h-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide PoSSuM
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Structure summary

Code : 5W2E   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/INHIBITOR
Title : HCV NS5B RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor MK-8876
Release Data : 2017-08-16
Compound :
mol_id molecule chains
1 Genome polyprotein A,B
ec: 3.4.22.-,3.4.21.98,3.6.1.15,3.6.4.13,2.7.7.48
fragment: UNP residues 3-570
Source :
mol_id organism_scientific organism_common expression_system
1 Hepatitis C virus genotype 1b (isolate BK)  (taxid:11105) HCV Escherichia coli  (taxid:562)
strain: isolate BK
Authors : Lesburg, C.A., Ummat, A.
Keywords : antiviral inhibitor, HCV, polymerase, VIRAL PROTEIN, TRANSFERASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.80 Å )
Citation :

Development of a New Structural Class of Broadly Acting HCV Non-Nucleoside Inhibitors Leading to the Discovery of MK-8876.

McComas, C.C.,Palani, A.,Chang, W.  et al.
(2017)  ChemMedChem  12 : 1436 - 1448

PubMed: 28741898
DOI: 10.1002/cmdc.201700228

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
-
[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
-