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Fluorine in PDB 5sh9: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine
Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine
All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine:
3.1.4.17;
3.1.4.17;
Protein crystallography data
The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine, PDB code: 5sh9
was solved by
C.Joseph,
J.Benz,
A.Flohr,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 43.58 / 2.06 |
| Space group | H 3 |
| Cell size a, b, c (Å), α, β, γ (°) | 135.479, 135.479, 236.023, 90, 90, 120 |
| R / Rfree (%) | 17.2 / 22.3 |
Other elements in 5sh9:
The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine also contains other interesting chemical elements:
| Magnesium | (Mg) | 4 atoms |
| Zinc | (Zn) | 4 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine
(pdb code 5sh9). 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 Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine, PDB code: 5sh9:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine, PDB code: 5sh9:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 5sh9
Go back to
Fluorine Binding Sites List in 5sh9
Fluorine binding site 1 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine
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 Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 5sh9
Go back to
Fluorine Binding Sites List in 5sh9
Fluorine binding site 2 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine
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 Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 5sh9
Go back to
Fluorine Binding Sites List in 5sh9
Fluorine binding site 3 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine
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 Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 5sh9
Go back to
Fluorine Binding Sites List in 5sh9
Fluorine binding site 4 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine
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 Phosphodiesterase 10 in Complex with 2-[2- [5-[(3R)-3-Fluoropyrrolidin-1-Yl]-2-Methyl-1,2,4-Triazol-3-Yl]Ethyl]- 5,8-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyrazine within 5.0Å range:
|
Reference:
A.Flohr,
D.Schlatter,
B.Kuhn,
M.G.Rudolph.
Crystal Structure of A Human Phosphodiesterase 10 Complex To Be Published.
Page generated: Tue Jul 15 07:15:39 2025
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