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Fluorine in PDB 3ska: I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
Enzymatic activity of I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
All present enzymatic activity of I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles:
2.7.7.48;
2.7.7.48;
Protein crystallography data
The structure of I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles, PDB code: 3ska
was solved by
C.A.Lesburg,
G.N.Anilkumar,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 20.00 / 1.73 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 90.670, 106.970, 133.740, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 16.9 / 19.4 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
(pdb code 3ska). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles, PDB code: 3ska:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles, PDB code: 3ska:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 3ska
Go back to
Fluorine Binding Sites List in 3ska
Fluorine binding site 1 out
of 6 in the I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
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 I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 3ska
Go back to
Fluorine Binding Sites List in 3ska
Fluorine binding site 2 out
of 6 in the I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
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 I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 3ska
Go back to
Fluorine Binding Sites List in 3ska
Fluorine binding site 3 out
of 6 in the I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
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 I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 3ska
Go back to
Fluorine Binding Sites List in 3ska
Fluorine binding site 4 out
of 6 in the I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
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 I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 3ska
Go back to
Fluorine Binding Sites List in 3ska
Fluorine binding site 5 out
of 6 in the I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
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 I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 3ska
Go back to
Fluorine Binding Sites List in 3ska
Fluorine binding site 6 out
of 6 in the I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
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 I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles within 5.0Å range:
|
Reference:
G.N.Anilkumar,
C.A.Lesburg,
O.Selyutin,
S.B.Rosenblum,
Q.Zeng,
Y.Jiang,
T.Y.Chan,
H.Pu,
H.Vaccaro,
L.Wang,
F.Bennett,
K.X.Chen,
J.Duca,
S.Gavalas,
Y.Huang,
P.Pinto,
M.Sannigrahi,
F.Velazquez,
S.Venkatraman,
B.Vibulbhan,
S.Agrawal,
N.Butkiewicz,
B.Feld,
E.Ferrari,
Z.He,
C.K.Jiang,
R.E.Palermo,
P.Mcmonagle,
H.C.Huang,
N.Y.Shih,
G.Njoroge,
J.A.Kozlowski.
I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2-Carboxylic Acids with C3-Heterocycles. Bioorg.Med.Chem.Lett. V. 21 5336 2011.
ISSN: ISSN 0960-894X
PubMed: 21840715
DOI: 10.1016/J.BMCL.2011.07.021
Page generated: Wed Jul 31 22:33:02 2024
ISSN: ISSN 0960-894X
PubMed: 21840715
DOI: 10.1016/J.BMCL.2011.07.021
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