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Atomistry » Magnesium » PDB 5sfv-5sh0 » 5sfy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Magnesium » PDB 5sfv-5sh0 » 5sfy » |
Magnesium in PDB 5sfy: Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dimethyl-2-[(E)-2-[2-Methyl-5-(1H-Pyrazol-4-Yl)-1,2,4-Triazol-3- Yl]Ethenyl]-[1,2,4]Triazolo[1,5-A]PyrazineEnzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dimethyl-2-[(E)-2-[2-Methyl-5-(1H-Pyrazol-4-Yl)-1,2,4-Triazol-3- Yl]Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyrazine
All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dimethyl-2-[(E)-2-[2-Methyl-5-(1H-Pyrazol-4-Yl)-1,2,4-Triazol-3- Yl]Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyrazine:
3.1.4.17; Protein crystallography data
The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dimethyl-2-[(E)-2-[2-Methyl-5-(1H-Pyrazol-4-Yl)-1,2,4-Triazol-3- Yl]Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyrazine, PDB code: 5sfy
was solved by
C.Joseph,
A.Flohr,
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 5sfy:
The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dimethyl-2-[(E)-2-[2-Methyl-5-(1H-Pyrazol-4-Yl)-1,2,4-Triazol-3- Yl]Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyrazine 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 5,8- Dimethyl-2-[(E)-2-[2-Methyl-5-(1H-Pyrazol-4-Yl)-1,2,4-Triazol-3- Yl]Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyrazine
(pdb code 5sfy). 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 5,8- Dimethyl-2-[(E)-2-[2-Methyl-5-(1H-Pyrazol-4-Yl)-1,2,4-Triazol-3- Yl]Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyrazine, PDB code: 5sfy: Jump to Magnesium binding site number: 1; 2; 3; 4; Magnesium binding site 1 out of 4 in 5sfyGo back to Magnesium Binding Sites List in 5sfy
Magnesium binding site 1 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dimethyl-2-[(E)-2-[2-Methyl-5-(1H-Pyrazol-4-Yl)-1,2,4-Triazol-3- Yl]Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyrazine
Mono view Stereo pair view
Magnesium binding site 2 out of 4 in 5sfyGo back to Magnesium Binding Sites List in 5sfy
Magnesium binding site 2 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dimethyl-2-[(E)-2-[2-Methyl-5-(1H-Pyrazol-4-Yl)-1,2,4-Triazol-3- Yl]Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyrazine
Mono view Stereo pair view
Magnesium binding site 3 out of 4 in 5sfyGo back to Magnesium Binding Sites List in 5sfy
Magnesium binding site 3 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dimethyl-2-[(E)-2-[2-Methyl-5-(1H-Pyrazol-4-Yl)-1,2,4-Triazol-3- Yl]Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyrazine
Mono view Stereo pair view
Magnesium binding site 4 out of 4 in 5sfyGo back to Magnesium Binding Sites List in 5sfy
Magnesium binding site 4 out
of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dimethyl-2-[(E)-2-[2-Methyl-5-(1H-Pyrazol-4-Yl)-1,2,4-Triazol-3- Yl]Ethenyl]-[1,2,4]Triazolo[1,5-A]Pyrazine
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 03:40:50 2024
ISSN: ESSN 1573-4951 PubMed: 36153472 DOI: 10.1007/S10822-022-00478-X |
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