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Fluorine in PDB 4ui6: Crystal Structure of Human Tankyrase 2 in Complex with Ta-47
Enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with Ta-47
All present enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with Ta-47:
2.4.2.30;
2.4.2.30;
Protein crystallography data
The structure of Crystal Structure of Human Tankyrase 2 in Complex with Ta-47, PDB code: 4ui6
was solved by
T.Haikarainen,
L.Lehtio,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 29.21 / 1.80 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 91.470, 98.350, 119.440, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 15.371 / 18.555 |
Other elements in 4ui6:
The structure of Crystal Structure of Human Tankyrase 2 in Complex with Ta-47 also contains other interesting chemical elements:
| Zinc | (Zn) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-47
(pdb code 4ui6). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-47, PDB code: 4ui6:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-47, PDB code: 4ui6:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 4ui6
Go back to
Fluorine Binding Sites List in 4ui6
Fluorine binding site 1 out
of 6 in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-47
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 Human Tankyrase 2 in Complex with Ta-47 within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 4ui6
Go back to
Fluorine Binding Sites List in 4ui6
Fluorine binding site 2 out
of 6 in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-47
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 Human Tankyrase 2 in Complex with Ta-47 within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 4ui6
Go back to
Fluorine Binding Sites List in 4ui6
Fluorine binding site 3 out
of 6 in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-47
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 Human Tankyrase 2 in Complex with Ta-47 within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 4ui6
Go back to
Fluorine Binding Sites List in 4ui6
Fluorine binding site 4 out
of 6 in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-47
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 Human Tankyrase 2 in Complex with Ta-47 within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 4ui6
Go back to
Fluorine Binding Sites List in 4ui6
Fluorine binding site 5 out
of 6 in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-47
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 Crystal Structure of Human Tankyrase 2 in Complex with Ta-47 within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 4ui6
Go back to
Fluorine Binding Sites List in 4ui6
Fluorine binding site 6 out
of 6 in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-47
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 Crystal Structure of Human Tankyrase 2 in Complex with Ta-47 within 5.0Å range:
|
Reference:
A.Nathubhai,
T.Haikarainen,
P.C.Hayward,
S.Munoz-Descalzo,
A.S.Thompson,
M.D.Lloyd,
L.Lehtio,
M.D.Threadgill.
Structure-Activity Relationships of 2-Arylquinazolin-4-Ones As Highly Selective and Potent Inhibitors of the Tankyrases. Eur.J.Med.Chem. V. 118 316 2016.
ISSN: ISSN 0223-5234
PubMed: 27163581
DOI: 10.1016/J.EJMECH.2016.04.041
Page generated: Thu Aug 1 06:02:58 2024
ISSN: ISSN 0223-5234
PubMed: 27163581
DOI: 10.1016/J.EJMECH.2016.04.041
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