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PDBsum entry 3vqs
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Hydrolase/hydrolase inhibitor
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PDB id
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3vqs
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PDB id:
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| Name: |
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Hydrolase/hydrolase inhibitor
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Title:
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Crystal structure of hcv ns5b RNA polymerase with a novel piperazine inhibitor
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Structure:
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RNA-directed RNA polymerase. Chain: a, b, c, d. Synonym: ns5b polymerase. Engineered: yes
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Source:
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Hepatitis c virus. Organism_taxid: 11103. Strain: bk. Gene: genotype 1b. Expressed in: escherichia coli. Expression_system_taxid: 562.
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Resolution:
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1.90Å
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R-factor:
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0.172
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R-free:
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0.205
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Authors:
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T.Adachi,S.Doi,I.Ando,K.Sugimoto,T.Orita,A.Nomura,M.Kamada
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Key ref:
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I.Ando
et al.
(2012).
Preclinical characterization of JTK-853, a novel nonnucleoside inhibitor of the hepatitis C virus RNA-dependent RNA polymerase.
Antimicrob Agents Chemother,
56,
4250-4256.
PubMed id:
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Date:
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30-Mar-12
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Release date:
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08-Aug-12
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PROCHECK
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Headers
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References
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P26663
(POLG_HCVBK) -
Genome polyprotein from Hepatitis C virus genotype 1b (isolate BK)
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Seq:
Struc:
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3010 a.a.
553 a.a.*
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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*
PDB and UniProt seqs differ
at 1 residue position (black
cross)
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Enzyme class 1:
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E.C.2.7.7.48
- RNA-directed Rna polymerase.
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Reaction:
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RNA(n) + a ribonucleoside 5'-triphosphate = RNA(n+1) + diphosphate
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RNA(n)
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+
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ribonucleoside 5'-triphosphate
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=
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RNA(n+1)
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+
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diphosphate
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Enzyme class 2:
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E.C.3.4.21.98
- hepacivirin.
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Reaction:
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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'.
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Enzyme class 3:
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E.C.3.4.22.-
- ?????
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Enzyme class 4:
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E.C.3.6.1.15
- nucleoside-triphosphate phosphatase.
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Reaction:
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a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'-diphosphate + phosphate + H+
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ribonucleoside 5'-triphosphate
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+
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H2O
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=
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ribonucleoside 5'-diphosphate
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+
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phosphate
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+
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H(+)
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Enzyme class 5:
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E.C.3.6.4.13
- Rna helicase.
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Reaction:
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ATP + H2O = ADP + phosphate + H+
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ATP
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+
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H2O
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=
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ADP
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+
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phosphate
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+
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H(+)
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Note, where more than one E.C. class is given (as above), each may
correspond to a different protein domain or, in the case of polyprotein
precursors, to a different mature protein.
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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Antimicrob Agents Chemother
56:4250-4256
(2012)
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PubMed id:
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Preclinical characterization of JTK-853, a novel nonnucleoside inhibitor of the hepatitis C virus RNA-dependent RNA polymerase.
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I.Ando,
T.Adachi,
N.Ogura,
Y.Toyonaga,
K.Sugimoto,
H.Abe,
M.Kamada,
T.Noguchi.
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ABSTRACT
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Links
