Brand  (β version)

PDB ID: 3VQS

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Ligands
Code Name Style Show Link
JT1 (2r)-4-(5-cyclopropyl[1,3]thiazolo[4,5-D]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide PoSSuM
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Structure summary

Code : 3VQS   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal structure of HCV NS5B RNA polymerase with a novel piperazine inhibitor
Release Data : 2012-08-08
Compound :
mol_id molecule chains synonym
1 RNA-directed RNA polymerase A,B,C,D NS5B polymerase
Source :
mol_id organism_scientific expression_system
1 Hepatitis C virus  (taxid:11103) Escherichia coli  (taxid:562)
strain: BK
gene: genotype 1b
expression_system_vector_type: plasmid
expression_system_plasmid: pET17b
Authors : Adachi, T., Doi, S., Ando, I., Sugimoto, K., Orita, T., Nomura, A., Kamada, M.
Keywords : RNA-dependent RNA polymerase, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.9000 Å )
Citation :

Preclinical Characterization of JTK-853, a Novel Nonnucleoside Inhibitor of the Hepatitis C Virus RNA-Dependent RNA Polymerase.

Ando, I.,Adachi, T.,Ogura, N.  et al.
(2012)  Antimicrob.Agents Chemother.  56 : 4250 - 4256

PubMed: 22615294
DOI: 10.1128/AAC.00312-12

Reaction

Chain : A, B, C, D
UniProt : D0PY27 (D0PY27_9HEPC)
Reaction: EC: Evidence:
Physiological Direction:
ATP + H2O = ADP + phosphate + H(+) 3.6.4.13 ARBA:ARBA00047984
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RNA(n) + a ribonucleoside 5'-triphosphate = RNA(n+1) + diphosphate 2.7.7.48 RuleBase:RU363062
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