Fluorine »
PDB 5avz-5btd »
5axq »
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
Last articles
Zn in 9J0NZn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
