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Atomistry » Magnesium » PDB 5scg-5seq » 5sei | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Magnesium » PDB 5scg-5seq » 5sei » |
Magnesium in PDB 5sei: Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2-[(E)-2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl) Ethenyl]-[1,2,4]Triazolo[1,5-A]PyridineEnzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2-[(E)-2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl) Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyridine
All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2-[(E)-2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl) Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyridine:
3.1.4.17; Protein crystallography data
The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2-[(E)-2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl) Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyridine, PDB code: 5sei
was solved by
C.Joseph,
C.Lerner,
J.Benz,
D.Schlatter,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5sei:
The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2-[(E)-2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl) Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyridine also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2-[(E)-2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl) Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyridine
(pdb code 5sei). 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 6- Chloro-2-[(E)-2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl) Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyridine, PDB code: 5sei: Jump to Magnesium binding site number: 1; 2; 3; 4; Magnesium binding site 1 out of 4 in 5seiGo back to Magnesium Binding Sites List in 5sei
Magnesium binding site 1 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2-[(E)-2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl) Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyridine
Mono view Stereo pair view
Magnesium binding site 2 out of 4 in 5seiGo back to Magnesium Binding Sites List in 5sei
Magnesium binding site 2 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2-[(E)-2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl) Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyridine
Mono view Stereo pair view
Magnesium binding site 3 out of 4 in 5seiGo back to Magnesium Binding Sites List in 5sei
Magnesium binding site 3 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2-[(E)-2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl) Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyridine
Mono view Stereo pair view
Magnesium binding site 4 out of 4 in 5seiGo back to Magnesium Binding Sites List in 5sei
Magnesium binding site 4 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2-[(E)-2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl) Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyridine
Mono view Stereo pair view
Reference:
A.Tosstorff,
M.G.Rudolph,
J.C.Cole,
M.Reutlinger,
C.Kramer,
H.Schaffhauser,
A.Nilly,
A.Flohr,
B.Kuhn.
A High Quality, Industrial Data Set For Binding Affinity Prediction: Performance Comparison in Different Early Drug Discovery Scenarios. J.Comput.Aided Mol.Des. V. 36 753 2022.
Page generated: Mon Sep 30 03:22:58 2024
ISSN: ESSN 1573-4951 PubMed: 36153472 DOI: 10.1007/S10822-022-00478-X |
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