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Atomistry » Fluorine » PDB 5qc1-5qot » 5qj0 » |
Fluorine in PDB 5qj0: Crystal Structure of the Hepatitis C Virus Genotype 2A Strain JFH1 NS5B Rna-Dependent Rna Polymerase in Complex with 6- [Ethyl(Methylsulfonyl)Amino]-2-(4-Fluorophenyl)-N-Methyl-5-(3-{[1- (Pyrimidin-2-Yl)Cyclopropyl]Carbamoyl}Phenyl)-1-Benzofuran-3- CarboxamideEnzymatic activity of Crystal Structure of the Hepatitis C Virus Genotype 2A Strain JFH1 NS5B Rna-Dependent Rna Polymerase in Complex with 6- [Ethyl(Methylsulfonyl)Amino]-2-(4-Fluorophenyl)-N-Methyl-5-(3-{[1- (Pyrimidin-2-Yl)Cyclopropyl]Carbamoyl}Phenyl)-1-Benzofuran-3- Carboxamide
All present enzymatic activity of Crystal Structure of the Hepatitis C Virus Genotype 2A Strain JFH1 NS5B Rna-Dependent Rna Polymerase in Complex with 6- [Ethyl(Methylsulfonyl)Amino]-2-(4-Fluorophenyl)-N-Methyl-5-(3-{[1- (Pyrimidin-2-Yl)Cyclopropyl]Carbamoyl}Phenyl)-1-Benzofuran-3- Carboxamide:
2.7.7.48; Protein crystallography data
The structure of Crystal Structure of the Hepatitis C Virus Genotype 2A Strain JFH1 NS5B Rna-Dependent Rna Polymerase in Complex with 6- [Ethyl(Methylsulfonyl)Amino]-2-(4-Fluorophenyl)-N-Methyl-5-(3-{[1- (Pyrimidin-2-Yl)Cyclopropyl]Carbamoyl}Phenyl)-1-Benzofuran-3- Carboxamide, PDB code: 5qj0
was solved by
S.Sheriff,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the Hepatitis C Virus Genotype 2A Strain JFH1 NS5B Rna-Dependent Rna Polymerase in Complex with 6- [Ethyl(Methylsulfonyl)Amino]-2-(4-Fluorophenyl)-N-Methyl-5-(3-{[1- (Pyrimidin-2-Yl)Cyclopropyl]Carbamoyl}Phenyl)-1-Benzofuran-3- Carboxamide
(pdb code 5qj0). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of the Hepatitis C Virus Genotype 2A Strain JFH1 NS5B Rna-Dependent Rna Polymerase in Complex with 6- [Ethyl(Methylsulfonyl)Amino]-2-(4-Fluorophenyl)-N-Methyl-5-(3-{[1- (Pyrimidin-2-Yl)Cyclopropyl]Carbamoyl}Phenyl)-1-Benzofuran-3- Carboxamide, PDB code: 5qj0: Fluorine binding site 1 out of 1 in 5qj0Go back to![]() ![]()
Fluorine binding site 1 out
of 1 in the Crystal Structure of the Hepatitis C Virus Genotype 2A Strain JFH1 NS5B Rna-Dependent Rna Polymerase in Complex with 6- [Ethyl(Methylsulfonyl)Amino]-2-(4-Fluorophenyl)-N-Methyl-5-(3-{[1- (Pyrimidin-2-Yl)Cyclopropyl]Carbamoyl}Phenyl)-1-Benzofuran-3- Carboxamide
![]() Mono view ![]() Stereo pair view
Reference:
K.S.Yeung,
B.R.Beno,
K.Mosure,
J.Zhu,
K.A.Grant-Young,
K.Parcella,
P.Anjanappa,
R.O.Bora,
K.Selvakumar,
Y.K.Wang,
H.Fang,
R.Krause,
K.Rigat,
M.Liu,
J.Lemm,
S.Sheriff,
M.Witmer,
J.Tredup,
A.Jardel,
K.Kish,
D.Parker,
R.Haskell,
K.Santone,
N.A.Meanwell,
M.G.Soars,
S.B.Roberts,
J.F.Kadow.
Structure-Property Basis For Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in Hcv NS5B Inhibitors. Acs Med Chem Lett V. 9 1217 2018.
Page generated: Tue Jul 15 06:26:22 2025
ISSN: ISSN 1948-5875 PubMed: 30613329 DOI: 10.1021/ACSMEDCHEMLETT.8B00379 |
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