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Magnesium in PDB 5sht: Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine
Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine
All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine:
3.1.4.17;
3.1.4.17;
Protein crystallography data
The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine, PDB code: 5sht
was solved by
C.Joseph,
J.Benz,
A.Flohr,
C.Lerner,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 43.57 / 2.27 |
| Space group | H 3 |
| Cell size a, b, c (Å), α, β, γ (°) | 135.319, 135.319, 235.594, 90, 90, 120 |
| R / Rfree (%) | 17.7 / 22.8 |
Other elements in 5sht:
The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine also contains other interesting chemical elements:
| Zinc | (Zn) | 4 atoms |
| Chlorine | (Cl) | 4 atoms |
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine
(pdb code 5sht). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine, PDB code: 5sht:
Jump to Magnesium binding site number: 1; 2; 3; 4;
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine, PDB code: 5sht:
Jump to Magnesium binding site number: 1; 2; 3; 4;
Magnesium binding site 1 out of 4 in 5sht
Go back to
Magnesium Binding Sites List in 5sht
Magnesium binding site 1 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine within 5.0Å range:
|
Magnesium binding site 2 out of 4 in 5sht
Go back to
Magnesium Binding Sites List in 5sht
Magnesium binding site 2 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine within 5.0Å range:
|
Magnesium binding site 3 out of 4 in 5sht
Go back to
Magnesium Binding Sites List in 5sht
Magnesium binding site 3 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine within 5.0Å range:
|
Magnesium binding site 4 out of 4 in 5sht
Go back to
Magnesium Binding Sites List in 5sht
Magnesium binding site 4 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 8- Chloro-5,7-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3- Yl)Ethyl]-[1,2,4]Triazolo[1,5-C]Pyrimidine 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: Mon Sep 30 04:03:13 2024
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