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Fluorine in PDB 3v8t: Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
Enzymatic activity of Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
All present enzymatic activity of Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477:
2.7.10.2;
2.7.10.2;
Protein crystallography data
The structure of Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477, PDB code: 3v8t
was solved by
L.R.Mclean,
Y.Zhang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 29.28 / 2.00 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 145.702, 69.684, 68.224, 90.00, 107.78, 90.00 |
| R / Rfree (%) | 22 / 24.8 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
(pdb code 3v8t). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477, PDB code: 3v8t:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477, PDB code: 3v8t:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 3v8t
Go back to
Fluorine Binding Sites List in 3v8t
Fluorine binding site 1 out
of 4 in the Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
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 Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477 within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 3v8t
Go back to
Fluorine Binding Sites List in 3v8t
Fluorine binding site 2 out
of 4 in the Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
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 Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477 within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 3v8t
Go back to
Fluorine Binding Sites List in 3v8t
Fluorine binding site 3 out
of 4 in the Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
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 Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477 within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 3v8t
Go back to
Fluorine Binding Sites List in 3v8t
Fluorine binding site 4 out
of 4 in the Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
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 Crystal Structure of Interleukin-2 Inducible T-Cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477 within 5.0Å range:
|
Reference:
L.R.Mclean,
Y.Zhang,
N.Zaidi,
X.Bi,
R.Wang,
R.Dharanipragada,
J.G.Jurcak,
T.A.Gillespy,
Z.Zhao,
K.Y.Musick,
Y.M.Choi,
M.Barrague,
J.Peppard,
M.Smicker,
M.Duguid,
A.Parkar,
J.Fordham,
D.Kominos.
X-Ray Crystallographic Structure-Based Design of Selective Thienopyrazole Inhibitors For Interleukin-2-Inducible Tyrosine Kinase. Bioorg.Med.Chem.Lett. V. 22 3296 2012.
ISSN: ISSN 0960-894X
PubMed: 22464456
DOI: 10.1016/J.BMCL.2012.03.016
Page generated: Wed Jul 31 23:14:25 2024
ISSN: ISSN 0960-894X
PubMed: 22464456
DOI: 10.1016/J.BMCL.2012.03.016
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