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Zinc in PDB 4mia: Hepatitis C Virus Polymerase NS5B Genotype 1B (Bk) in Complex with RG7109 (N-{4-[6-Tert-Butyl-5-Methoxy-8-(6-Methoxy-2-Oxo-2,5- Dihydropyridin-3-Yl)Quinolin-3-Yl]Phenyl}Methanesulfonamide)Enzymatic activity of Hepatitis C Virus Polymerase NS5B Genotype 1B (Bk) in Complex with RG7109 (N-{4-[6-Tert-Butyl-5-Methoxy-8-(6-Methoxy-2-Oxo-2,5- Dihydropyridin-3-Yl)Quinolin-3-Yl]Phenyl}Methanesulfonamide)
All present enzymatic activity of Hepatitis C Virus Polymerase NS5B Genotype 1B (Bk) in Complex with RG7109 (N-{4-[6-Tert-Butyl-5-Methoxy-8-(6-Methoxy-2-Oxo-2,5- Dihydropyridin-3-Yl)Quinolin-3-Yl]Phenyl}Methanesulfonamide):
2.7.7.48; Protein crystallography data
The structure of Hepatitis C Virus Polymerase NS5B Genotype 1B (Bk) in Complex with RG7109 (N-{4-[6-Tert-Butyl-5-Methoxy-8-(6-Methoxy-2-Oxo-2,5- Dihydropyridin-3-Yl)Quinolin-3-Yl]Phenyl}Methanesulfonamide), PDB code: 4mia
was solved by
S.F.Harris,
A.G.Villasenor,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Zinc Binding Sites:
The binding sites of Zinc atom in the Hepatitis C Virus Polymerase NS5B Genotype 1B (Bk) in Complex with RG7109 (N-{4-[6-Tert-Butyl-5-Methoxy-8-(6-Methoxy-2-Oxo-2,5- Dihydropyridin-3-Yl)Quinolin-3-Yl]Phenyl}Methanesulfonamide)
(pdb code 4mia). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Hepatitis C Virus Polymerase NS5B Genotype 1B (Bk) in Complex with RG7109 (N-{4-[6-Tert-Butyl-5-Methoxy-8-(6-Methoxy-2-Oxo-2,5- Dihydropyridin-3-Yl)Quinolin-3-Yl]Phenyl}Methanesulfonamide), PDB code: 4mia: Jump to Zinc binding site number: 1; 2; Zinc binding site 1 out of 2 in 4miaGo back to Zinc Binding Sites List in 4mia
Zinc binding site 1 out
of 2 in the Hepatitis C Virus Polymerase NS5B Genotype 1B (Bk) in Complex with RG7109 (N-{4-[6-Tert-Butyl-5-Methoxy-8-(6-Methoxy-2-Oxo-2,5- Dihydropyridin-3-Yl)Quinolin-3-Yl]Phenyl}Methanesulfonamide)
Mono view Stereo pair view
Zinc binding site 2 out of 2 in 4miaGo back to Zinc Binding Sites List in 4mia
Zinc binding site 2 out
of 2 in the Hepatitis C Virus Polymerase NS5B Genotype 1B (Bk) in Complex with RG7109 (N-{4-[6-Tert-Butyl-5-Methoxy-8-(6-Methoxy-2-Oxo-2,5- Dihydropyridin-3-Yl)Quinolin-3-Yl]Phenyl}Methanesulfonamide)
Mono view Stereo pair view
Reference:
F.X.Talamas,
S.C.Abbot,
S.Anand,
K.A.Brameld,
D.S.Carter,
J.Chen,
D.Davis,
J.De Vicente,
A.D.Fung,
L.Gong,
S.F.Harris,
P.Inbar,
S.S.Labadie,
E.K.Lee,
R.Lemoine,
S.Le Pogam,
V.Leveque,
J.Li,
J.Mcintosh,
I.Najera,
J.Park,
A.Railkar,
S.Rajyaguru,
M.Sangi,
R.C.Schoenfeld,
L.R.Staben,
Y.Tan,
J.P.Taygerly,
A.G.Villasenor,
P.E.Weller.
Discovery of N-[4-[6-Tert-Butyl-5-Methoxy-8-(6-Methoxy-2-Oxo-1H-Pyridin- 3-Yl)-3-Quinolyl]Phenyl]Methanesulfonamide (RG7109), A Potent Inhibitor of the Hepatitis C Virus NS5B Polymerase. J.Med.Chem. V. 57 1914 2014.
Page generated: Sun Oct 27 02:31:03 2024
ISSN: ISSN 0022-2623 PubMed: 24195700 DOI: 10.1021/JM401329S |
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