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Fluorine in PDB 5axq: Crystal Structure of the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold
Enzymatic activity of Crystal Structure of the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold
All present enzymatic activity of Crystal Structure of the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold:
3.1.4.17; 3.1.4.35;
3.1.4.17; 3.1.4.35;
Protein crystallography data
The structure of Crystal Structure of the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold, PDB code: 5axq
was solved by
H.Oki,
Y.Zama,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 50.00 / 1.77 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 49.685, 81.793, 159.849, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 17.1 / 21.1 |
Other elements in 5axq:
The structure of Crystal Structure of the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold also contains other interesting chemical elements:
| Magnesium | (Mg) | 2 atoms |
| Zinc | (Zn) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold
(pdb code 5axq). 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 the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold, PDB code: 5axq:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold, PDB code: 5axq:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 5axq
Go back to
Fluorine Binding Sites List in 5axq
Fluorine binding site 1 out
of 2 in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold
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 the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 5axq
Go back to
Fluorine Binding Sites List in 5axq
Fluorine binding site 2 out
of 2 in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold
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 the Catalytic Domain of PDE10A Complexed with Highly Potent and Brain-Penetrant PDE10A Inhibitor with 2-Oxindole Scaffold within 5.0Å range:
|
Reference:
M.Yoshikawa,
H.Kamisaki,
J.Kunitomo,
H.Oki,
H.Kokubo,
A.Suzuki,
T.Ikemoto,
K.Nakashima,
N.Kamiguchi,
A.Harada,
H.Kimura,
T.Taniguchi.
Design and Synthesis of A Novel 2-Oxindole Scaffold As A Highly Potent and Brain-Penetrant Phosphodiesterase 10A Inhibitor Bioorg.Med.Chem. V. 23 7138 2015.
ISSN: ESSN 1464-3391
PubMed: 26494583
DOI: 10.1016/J.BMC.2015.10.002
Page generated: Thu Aug 1 08:01:26 2024
ISSN: ESSN 1464-3391
PubMed: 26494583
DOI: 10.1016/J.BMC.2015.10.002
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