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Magnesium in PDB 5si1: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group I23

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group I23

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group I23:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group I23, PDB code: 5si1 was solved by C.Joseph, J.Benz, A.Flohr, J.Peters, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.04 / 1.75
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 142.221, 142.221, 142.221, 90, 90, 90
R / Rfree (%) 17.5 / 20.1

Other elements in 5si1:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group I23 also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group I23 (pdb code 5si1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group I23, PDB code: 5si1:

Magnesium binding site 1 out of 1 in 5si1

Go back to Magnesium Binding Sites List in 5si1
Magnesium binding site 1 out of 1 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group I23


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 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group I23 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:13.4
occ:1.00
 O A:HOH1029 2.0 20.1 1.0
O A:HOH1006 2.1 20.5 1.0
OD1 A:ASP564 2.1 18.4 1.0
O A:HOH1097 2.1 24.3 1.0
O A:HOH1060 2.1 21.1 1.0
O A:HOH970 2.2 20.3 1.0
CG A:ASP564 3.1 18.7 1.0
OD2 A:ASP564 3.4 18.1 1.0
ZN A:ZN801 3.7 22.7 1.0
O A:HOH1090 4.0 33.1 1.0
NE2 A:HIS595 4.0 19.8 1.0
OE2 A:GLU592 4.1 23.4 1.0
O A:HOH1091 4.1 24.5 1.0
OG1 A:THR633 4.2 22.2 1.0
CD2 A:HIS563 4.2 18.5 1.0
CD2 A:HIS567 4.3 23.2 1.0
O A:HOH1073 4.3 30.2 1.0
CD2 A:HIS595 4.3 20.7 1.0
O A:HIS563 4.3 19.2 1.0
OD2 A:ASP674 4.4 24.8 1.0
CB A:ASP564 4.4 18.2 1.0
NE2 A:HIS567 4.5 22.8 1.0
O A:THR633 4.5 22.5 1.0
CD2 A:HIS525 4.6 23.5 1.0
NE2 A:HIS563 4.6 18.2 1.0
NE2 A:HIS525 4.6 23.8 1.0
CB A:THR633 4.7 21.8 1.0
CA A:ASP564 4.8 18.6 1.0
CG A:GLU592 4.9 21.1 1.0
CD A:GLU592 4.9 22.4 1.0

Reference:

A.Flohr, D.Schlatter, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human Phosphodiesterase 10 Complex To Be Published.
Page generated: Wed Apr 5 11:28:03 2023

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