Atomistry » Magnesium » PDB 5sjc-5skf » 5sjt
Atomistry »
  Magnesium »
    PDB 5sjc-5skf »
      5sjt »

Magnesium in PDB 5sjt: Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide, PDB code: 5sjt 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) 38.87 / 2.10
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.64, 134.64, 235, 90, 90, 120
R / Rfree (%) 16 / 17.9

Other elements in 5sjt:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide also contains other interesting chemical elements:

Praseodymium (Pr) 8 atoms
Zinc (Zn) 4 atoms
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide (pdb code 5sjt). 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 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide, PDB code: 5sjt:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5sjt

Go back to Magnesium Binding Sites List in 5sjt
Magnesium binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


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 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:20.3
occ:1.00
 O A:HOH912 1.9 22.1 1.0
O A:HOH1006 1.9 22.8 1.0
O A:HOH993 1.9 27.8 1.0
OD1 A:ASP564 2.0 22.6 1.0
O A:HOH981 2.1 23.2 1.0
O A:HOH948 2.2 22.9 1.0
CG A:ASP564 3.1 24.9 1.0
OD2 A:ASP564 3.5 27.6 1.0
ZN A:ZN801 3.7 30.1 1.0
O A:HOH1005 3.9 23.1 1.0
NE2 A:HIS595 4.0 30.7 1.0
OE2 A:GLU592 4.1 30.0 1.0
O A:HIS563 4.2 25.2 1.0
OG1 A:THR633 4.3 27.6 1.0
CD2 A:HIS595 4.3 27.9 1.0
CD2 A:HIS567 4.3 30.4 1.0
CD2 A:HIS563 4.3 25.5 1.0
CB A:ASP564 4.4 23.6 1.0
NE2 A:HIS567 4.5 29.2 1.0
O A:THR633 4.5 29.3 1.0
OD2 A:ASP674 4.6 28.2 1.0
CD2 A:HIS525 4.6 29.2 1.0
NE2 A:HIS525 4.6 30.7 1.0
CB A:THR633 4.6 25.1 1.0
NE2 A:HIS563 4.6 25.6 1.0
CA A:ASP564 4.8 25.2 1.0
CG A:GLU592 4.8 27.7 1.0
O A:HOH1009 4.8 34.2 1.0
CD A:GLU592 4.9 28.4 1.0

Magnesium binding site 2 out of 4 in 5sjt

Go back to Magnesium Binding Sites List in 5sjt
Magnesium binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


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 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg802

b:20.6
occ:1.00
 O B:HOH912 1.8 25.2 1.0
O B:HOH1013 2.0 12.6 1.0
O B:HOH916 2.1 23.1 1.0
O B:HOH974 2.1 20.2 1.0
OD1 B:ASP564 2.1 25.4 1.0
O B:HOH913 2.1 20.0 1.0
CG B:ASP564 3.1 22.2 1.0
OD2 B:ASP564 3.4 21.9 1.0
ZN B:ZN801 3.8 26.3 1.0
OE2 B:GLU592 4.0 22.8 1.0
O B:HOH1004 4.0 32.1 1.0
NE2 B:HIS595 4.1 26.2 1.0
O B:HIS563 4.2 25.9 1.0
CD2 B:HIS567 4.2 23.4 1.0
OG1 B:THR633 4.2 24.1 1.0
CD2 B:HIS563 4.3 19.6 1.0
NE2 B:HIS567 4.3 26.3 1.0
O B:HOH1053 4.3 37.1 1.0
CD2 B:HIS595 4.3 28.0 1.0
O B:THR633 4.3 25.5 1.0
OD2 B:ASP674 4.4 23.9 1.0
O B:HOH1001 4.4 40.2 1.0
CB B:ASP564 4.5 21.1 1.0
NE2 B:HIS563 4.6 20.9 1.0
NE2 B:HIS525 4.6 23.9 1.0
CD2 B:HIS525 4.7 23.9 1.0
CG B:GLU592 4.7 25.1 1.0
CB B:THR633 4.7 25.9 1.0
CD B:GLU592 4.8 23.1 1.0
CA B:ASP564 4.8 22.9 1.0

Magnesium binding site 3 out of 4 in 5sjt

Go back to Magnesium Binding Sites List in 5sjt
Magnesium binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


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 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg802

b:22.6
occ:1.00
 O C:HOH1004 2.0 26.8 1.0
O C:HOH938 2.0 27.1 1.0
OD1 C:ASP564 2.0 21.5 1.0
O C:HOH915 2.1 17.5 1.0
O C:HOH960 2.1 23.5 1.0
O C:HOH930 2.2 20.8 1.0
CG C:ASP564 3.1 23.2 1.0
OD2 C:ASP564 3.4 23.3 1.0
ZN C:ZN801 3.7 30.3 1.0
O C:HOH934 3.9 50.5 1.0
NE2 C:HIS595 4.0 25.3 1.0
CD2 C:HIS567 4.1 27.7 1.0
O C:HIS563 4.1 23.2 1.0
NE2 C:HIS567 4.1 22.9 1.0
OE2 C:GLU592 4.2 31.0 1.0
CD2 C:HIS563 4.2 20.7 1.0
OG1 C:THR633 4.4 29.6 1.0
CB C:ASP564 4.4 23.0 1.0
CD2 C:HIS595 4.4 25.3 1.0
OD2 C:ASP674 4.4 31.3 1.0
CD2 C:HIS525 4.5 28.9 1.0
O C:THR633 4.5 28.0 1.0
O C:HOH995 4.5 45.0 1.0
NE2 C:HIS525 4.6 30.7 1.0
NE2 C:HIS563 4.6 22.4 1.0
CB C:THR633 4.6 27.1 1.0
CA C:ASP564 4.8 23.6 1.0
CG C:GLU592 4.9 28.8 1.0
CD C:GLU592 5.0 29.1 1.0

Magnesium binding site 4 out of 4 in 5sjt

Go back to Magnesium Binding Sites List in 5sjt
Magnesium binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


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 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg802

b:31.2
occ:1.00
 O D:HOH937 2.0 24.3 1.0
O D:HOH950 2.1 23.8 1.0
OD1 D:ASP564 2.1 27.7 1.0
O D:HOH949 2.1 24.9 1.0
O D:HOH922 2.1 32.9 1.0
O D:HOH923 2.4 30.7 1.0
CG D:ASP564 3.3 28.1 1.0
OD2 D:ASP564 3.7 31.8 1.0
OE2 D:GLU592 3.9 34.6 1.0
ZN D:ZN801 4.0 36.0 1.0
O D:HOH993 4.0 33.3 1.0
NE2 D:HIS595 4.1 33.0 1.0
CD2 D:HIS567 4.2 35.4 1.0
OG1 D:THR633 4.3 31.9 1.0
CD2 D:HIS595 4.3 34.1 1.0
O D:THR633 4.3 36.2 1.0
NE2 D:HIS567 4.4 36.4 1.0
O D:HOH958 4.4 38.2 1.0
CD2 D:HIS525 4.5 34.4 1.0
NE2 D:HIS525 4.5 32.5 1.0
O D:HIS563 4.6 29.4 1.0
CB D:ASP564 4.6 28.9 1.0
OD2 D:ASP674 4.6 28.1 1.0
CG D:GLU592 4.6 33.0 1.0
CD2 D:HIS563 4.7 29.2 1.0
CD D:GLU592 4.7 34.2 1.0
CA D:ASP564 4.8 29.6 1.0
CB D:THR633 4.8 32.7 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: Tue Aug 12 20:10:50 2025

Last articles

Zn in 9QM9
Zn in 9S44
Zn in 9OFE
Zn in 9OFC
Zn in 9OFD
Zn in 9OF1
Zn in 9OFB
Zn in 9N0J
Zn in 9M5X
Zn in 9LGI
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy