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Fluorine in PDB 4uvx: Crystal Structure of Human Tankyrase 2 in Complex with 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One
Enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One
All present enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One:
2.4.2.30;
2.4.2.30;
Protein crystallography data
The structure of Crystal Structure of Human Tankyrase 2 in Complex with 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One, PDB code: 4uvx
was solved by
T.Haikarainen,
M.Narwal,
L.Lehtio,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 29.87 / 1.95 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 90.580, 98.510, 118.500, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 16.9 / 21.1 |
Other elements in 4uvx:
The structure of Crystal Structure of Human Tankyrase 2 in Complex with 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
| Zinc | (Zn) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human Tankyrase 2 in Complex with 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One
(pdb code 4uvx). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Tankyrase 2 in Complex with 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One, PDB code: 4uvx:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Tankyrase 2 in Complex with 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One, PDB code: 4uvx:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 4uvx
Go back to
Fluorine Binding Sites List in 4uvx
Fluorine binding site 1 out
of 2 in the Crystal Structure of Human Tankyrase 2 in Complex with 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One
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 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 4uvx
Go back to
Fluorine Binding Sites List in 4uvx
Fluorine binding site 2 out
of 2 in the Crystal Structure of Human Tankyrase 2 in Complex with 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One
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 3-(4- Chlorophenyl)-5-Fluoro-1,2-Dihydroisoquinolin-1-One within 5.0Å range:
|
Reference:
H.A.Paine,
A.Nathubhai,
E.C.Y.Woon,
P.T.Sunderland,
P.J.Wood,
M.F.Mahon,
M.D.Lloyd,
A.S.Thompson,
T.Haikarainen,
M.Narwal,
L.Lehtio,
M.D.Threadgill.
Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones As Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem. V. 23 5891 2015.
ISSN: ISSN 0968-0896
PubMed: 26189030
DOI: 10.1016/J.BMC.2015.06.061
Page generated: Thu Aug 1 06:11:38 2024
ISSN: ISSN 0968-0896
PubMed: 26189030
DOI: 10.1016/J.BMC.2015.06.061
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