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Magnesium in PDB 5sjq: Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline, PDB code: 5sjq was solved by C.Joseph, J.Benz, A.Flohr, Y.Kumagai, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.54 / 2.12
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.356, 135.356, 234.938, 90, 90, 120
R / Rfree (%) 18.5 / 22.3

Other elements in 5sjq:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline 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 6- Chloro-2,3-Dimethylquinoxaline (pdb code 5sjq). 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-2,3-Dimethylquinoxaline, PDB code: 5sjq:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5sjq

Go back to Magnesium Binding Sites List in 5sjq
Magnesium binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline


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 6- Chloro-2,3-Dimethylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:32.1
occ:1.00
 O A:HOH929 1.9 32.8 1.0
OD1 A:ASP564 2.0 30.9 1.0
O A:HOH941 2.0 27.3 1.0
O A:HOH991 2.0 29.7 1.0
O A:HOH949 2.1 27.9 1.0
O A:HOH947 2.2 35.2 1.0
CG A:ASP564 3.0 30.0 1.0
OD2 A:ASP564 3.4 33.5 1.0
ZN A:ZN801 3.7 36.1 1.0
O A:HOH997 3.8 49.3 1.0
OE2 A:GLU592 4.0 37.0 1.0
O A:HOH975 4.0 37.3 1.0
NE2 A:HIS595 4.0 34.1 1.0
CD2 A:HIS563 4.2 29.3 1.0
OG1 A:THR633 4.2 31.2 1.0
CD2 A:HIS567 4.3 37.8 1.0
CD2 A:HIS595 4.3 32.3 1.0
O A:HIS563 4.3 31.8 1.0
CB A:ASP564 4.3 29.9 1.0
OD2 A:ASP674 4.4 39.5 1.0
O A:HOH970 4.4 38.3 1.0
NE2 A:HIS567 4.5 35.9 1.0
O A:THR633 4.5 35.4 1.0
NE2 A:HIS563 4.6 31.3 1.0
CD2 A:HIS525 4.6 35.8 1.0
NE2 A:HIS525 4.7 34.0 1.0
CA A:ASP564 4.7 30.5 1.0
CB A:THR633 4.7 29.2 1.0
CD A:GLU592 4.9 34.7 1.0
CG A:GLU592 4.9 34.0 1.0

Magnesium binding site 2 out of 4 in 5sjq

Go back to Magnesium Binding Sites List in 5sjq
Magnesium binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline


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 6- Chloro-2,3-Dimethylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg802

b:30.1
occ:1.00
 O B:HOH936 1.9 28.2 1.0
O B:HOH943 1.9 23.9 1.0
O B:HOH903 2.0 23.8 1.0
O B:HOH962 2.0 25.4 1.0
O B:HOH986 2.1 30.1 1.0
OD1 B:ASP564 2.1 28.4 1.0
CG B:ASP564 3.1 29.8 1.0
OD2 B:ASP564 3.6 29.7 1.0
ZN B:ZN801 3.8 34.2 1.0
O B:HOH984 3.8 34.5 1.0
OE2 B:GLU592 3.9 34.1 1.0
NE2 B:HIS595 4.1 35.0 1.0
OG1 B:THR633 4.2 30.0 1.0
CD2 B:HIS563 4.2 28.6 1.0
CD2 B:HIS567 4.3 30.3 1.0
O B:HOH964 4.3 34.6 1.0
OD2 B:ASP674 4.3 33.7 1.0
CD2 B:HIS595 4.4 36.8 1.0
NE2 B:HIS567 4.4 30.9 1.0
O B:HIS563 4.4 35.2 1.0
O B:THR633 4.4 30.2 1.0
CB B:ASP564 4.5 29.4 1.0
NE2 B:HIS563 4.6 26.9 1.0
CD2 B:HIS525 4.6 31.6 1.0
CB B:THR633 4.7 31.5 1.0
NE2 B:HIS525 4.7 31.3 1.0
CA B:ASP564 4.8 28.9 1.0
CD B:GLU592 4.8 32.6 1.0
CG B:GLU592 4.8 33.7 1.0

Magnesium binding site 3 out of 4 in 5sjq

Go back to Magnesium Binding Sites List in 5sjq
Magnesium binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline


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 6- Chloro-2,3-Dimethylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg802

b:31.0
occ:1.00
 O C:HOH998 2.0 31.4 1.0
O C:HOH946 2.0 33.7 1.0
O C:HOH971 2.0 29.0 1.0
OD1 C:ASP564 2.1 34.6 1.0
O C:HOH924 2.1 25.4 1.0
O C:HOH937 2.1 28.4 1.0
CG C:ASP564 3.1 30.9 1.0
OD2 C:ASP564 3.4 30.3 1.0
ZN C:ZN801 3.8 36.8 1.0
OE2 C:GLU592 4.0 40.0 1.0
O C:HOH980 4.1 35.5 1.0
NE2 C:HIS595 4.1 34.8 1.0
CD2 C:HIS567 4.2 33.8 1.0
CD2 C:HIS563 4.2 32.0 1.0
OG1 C:THR633 4.2 32.7 1.0
O C:HIS563 4.3 34.0 1.0
OD2 C:ASP674 4.3 34.4 1.0
NE2 C:HIS567 4.3 33.3 1.0
O C:HOH978 4.3 39.1 1.0
CD2 C:HIS595 4.4 34.1 1.0
CB C:ASP564 4.4 30.2 1.0
O C:THR633 4.5 35.6 1.0
NE2 C:HIS563 4.6 34.1 1.0
CD2 C:HIS525 4.7 39.5 1.0
NE2 C:HIS525 4.7 40.6 1.0
CB C:THR633 4.7 31.4 1.0
CA C:ASP564 4.7 31.8 1.0
CG C:GLU592 4.8 34.1 1.0
CD C:GLU592 4.9 38.2 1.0

Magnesium binding site 4 out of 4 in 5sjq

Go back to Magnesium Binding Sites List in 5sjq
Magnesium binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline


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 6- Chloro-2,3-Dimethylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg802

b:39.5
occ:1.00
 O D:HOH908 2.0 35.1 1.0
O D:HOH923 2.0 29.4 1.0
OD1 D:ASP564 2.1 38.0 1.0
O D:HOH926 2.1 32.6 1.0
O D:HOH945 2.1 40.3 1.0
O D:HOH951 2.2 32.3 1.0
CG D:ASP564 3.1 35.9 1.0
OD2 D:ASP564 3.4 39.5 1.0
ZN D:ZN801 3.8 42.3 1.0
O D:HOH955 4.0 38.5 1.0
O D:HOH944 4.0 40.4 1.0
OE2 D:GLU592 4.1 42.2 1.0
NE2 D:HIS595 4.1 41.6 1.0
OG1 D:THR633 4.1 41.5 1.0
CD2 D:HIS567 4.2 48.4 1.0
O D:HIS563 4.3 38.1 1.0
CD2 D:HIS563 4.3 34.9 1.0
CD2 D:HIS595 4.3 42.6 1.0
O D:THR633 4.4 43.1 1.0
NE2 D:HIS567 4.4 45.1 1.0
CB D:ASP564 4.4 36.1 1.0
OD2 D:ASP674 4.4 41.2 1.0
CD2 D:HIS525 4.6 44.0 1.0
NE2 D:HIS525 4.7 45.1 1.0
NE2 D:HIS563 4.7 34.2 1.0
CB D:THR633 4.7 40.3 1.0
CG D:GLU592 4.7 43.9 1.0
CA D:ASP564 4.8 35.9 1.0
CD D:GLU592 4.8 43.0 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 11:37:08 2023

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