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Fluorine in PDB 3tyv: Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase
Enzymatic activity of Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase
All present enzymatic activity of Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase:
2.7.7.48;
2.7.7.48;
Protein crystallography data
The structure of Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase, PDB code: 3tyv
was solved by
C.A.Lesburg,
K.X.Chen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 20.00 / 1.65 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 90.650, 106.720, 133.940, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 16.4 / 18.9 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase
(pdb code 3tyv). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase, PDB code: 3tyv:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase, PDB code: 3tyv:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 3tyv
Go back to
Fluorine Binding Sites List in 3tyv
Fluorine binding site 1 out
of 6 in the Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 3tyv
Go back to
Fluorine Binding Sites List in 3tyv
Fluorine binding site 2 out
of 6 in the Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 3tyv
Go back to
Fluorine Binding Sites List in 3tyv
Fluorine binding site 3 out
of 6 in the Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 3tyv
Go back to
Fluorine Binding Sites List in 3tyv
Fluorine binding site 4 out
of 6 in the Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 3tyv
Go back to
Fluorine Binding Sites List in 3tyv
Fluorine binding site 5 out
of 6 in the Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 3tyv
Go back to
Fluorine Binding Sites List in 3tyv
Fluorine binding site 6 out
of 6 in the Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Sar Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus NS5B Polymerase within 5.0Å range:
|
Reference:
K.X.Chen,
B.Vibulbhan,
W.Yang,
M.Sannigrahi,
F.Velazquez,
T.Y.Chan,
S.Venkatraman,
G.N.Anilkumar,
Q.Zeng,
F.Bennet,
Y.Jiang,
C.A.Lesburg,
J.Duca,
P.Pinto,
S.Gavalas,
Y.Huang,
W.Wu,
O.Selyutin,
S.Agrawal,
B.Feld,
H.C.Huang,
C.Li,
K.C.Cheng,
N.Y.Shih,
J.A.Kozlowski,
S.B.Rosenblum,
F.G.Njoroge.
Structure-Activity Relationship (Sar) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (Hcv) NS5B Polymerase. J.Med.Chem. V. 55 754 2012.
ISSN: ISSN 0022-2623
PubMed: 22148957
DOI: 10.1021/JM201258K
Page generated: Mon Jul 14 19:32:14 2025
ISSN: ISSN 0022-2623
PubMed: 22148957
DOI: 10.1021/JM201258K
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