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Magnesium in PDB 5sk9: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline, PDB code: 5sk9 was solved by C.Joseph, J.Benz, A.Flohr, M.Boehringer, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.64 / 2.82
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.698, 135.698, 234.384, 90, 90, 120
R / Rfree (%) 21.2 / 23.9

Other elements in 5sk9:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline (pdb code 5sk9). 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 2- Chloro-5-Methoxy-3-Methylquinoxaline, PDB code: 5sk9:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5sk9

Go back to Magnesium Binding Sites List in 5sk9
Magnesium binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:71.8
occ:1.00
 O A:HOH902 2.2 31.1 1.0
O A:HOH911 2.3 69.3 1.0
O A:HOH907 2.4 71.3 1.0
O A:THR633 3.0 56.4 1.0
OE2 A:GLU592 3.1 70.2 1.0
OD1 A:ASP564 3.7 57.8 1.0
OG1 A:THR633 3.8 58.3 1.0
C A:THR633 3.9 56.2 1.0
CD A:GLU592 4.0 68.3 1.0
OD2 A:ASP674 4.1 71.2 1.0
CG A:GLU592 4.1 65.2 1.0
O A:HOH909 4.1 76.9 1.0
CB A:THR633 4.1 56.5 1.0
CG A:ASP564 4.7 59.4 1.0
CA A:THR633 4.7 55.5 1.0
ZN A:ZN801 4.7 73.0 1.0
N A:ASP634 4.7 56.0 1.0
CA A:ASP634 4.9 56.9 1.0
NE2 A:HIS595 4.9 64.1 1.0
OD2 A:ASP564 4.9 62.6 1.0

Magnesium binding site 2 out of 4 in 5sk9

Go back to Magnesium Binding Sites List in 5sk9
Magnesium binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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 2- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg802

b:48.5
occ:1.00
 O B:HOH916 1.9 62.9 1.0
O B:HOH909 2.1 48.1 1.0
OD1 B:ASP564 2.1 58.2 1.0
O B:HOH913 2.2 66.0 1.0
O B:HOH910 2.4 50.6 1.0
O B:HOH914 3.0 46.5 1.0
CG B:ASP564 3.1 58.2 1.0
OD2 B:ASP564 3.3 59.0 1.0
ZN B:ZN801 3.7 62.8 1.0
NE2 B:HIS525 3.9 57.0 1.0
CD2 B:HIS567 3.9 69.1 1.0
CD2 B:HIS525 4.0 56.6 1.0
NE2 B:HIS567 4.1 69.8 1.0
OE2 B:GLU592 4.2 65.2 1.0
NE2 B:HIS595 4.3 58.7 1.0
CB B:ASP564 4.5 56.7 1.0
CD2 B:HIS563 4.5 61.3 1.0
OD2 B:ASP674 4.7 73.2 1.0
CD2 B:HIS595 4.7 57.7 1.0
O B:THR633 4.9 55.0 1.0
OG1 B:THR633 4.9 58.3 1.0
CA B:ASP564 4.9 57.6 1.0
O B:HIS563 5.0 60.3 1.0
CE1 B:HIS525 5.0 56.3 1.0

Magnesium binding site 3 out of 4 in 5sk9

Go back to Magnesium Binding Sites List in 5sk9
Magnesium binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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 2- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg802

b:50.3
occ:1.00
 O C:HOH911 1.9 73.7 1.0
O C:HOH924 2.2 47.0 1.0
OD1 C:ASP564 2.2 63.6 1.0
O C:HOH909 2.2 43.8 1.0
O C:HOH903 2.2 51.5 1.0
O C:HOH913 2.9 96.9 1.0
CG C:ASP564 3.2 63.0 1.0
OD2 C:ASP564 3.5 66.0 1.0
NE2 C:HIS595 3.7 64.2 1.0
O C:HOH914 3.9 61.2 1.0
CD2 C:HIS567 3.9 65.7 1.0
ZN C:ZN801 3.9 64.1 1.0
NE2 C:HIS567 3.9 66.9 1.0
OE2 C:GLU592 4.0 75.0 1.0
CD2 C:HIS595 4.1 63.1 1.0
O C:HIS563 4.3 59.1 1.0
NE2 C:HIS525 4.4 58.3 1.0
CD2 C:HIS525 4.5 57.1 1.0
CD2 C:HIS563 4.5 59.9 1.0
CB C:ASP564 4.5 58.5 1.0
OG1 C:THR633 4.6 56.0 1.0
O C:THR633 4.7 56.8 1.0
CA C:ASP564 4.8 58.5 1.0
CD C:GLU592 4.8 73.2 1.0
OD2 C:ASP674 4.8 60.1 1.0
CE1 C:HIS595 4.9 64.4 1.0
O C:HOH916 4.9 79.8 1.0
NE2 C:HIS563 4.9 61.2 1.0
CG C:GLU592 4.9 64.3 1.0

Magnesium binding site 4 out of 4 in 5sk9

Go back to Magnesium Binding Sites List in 5sk9
Magnesium binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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 2- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg802

b:95.2
occ:1.00
 O D:HOH901 2.3 63.5 1.0
OD1 D:ASP564 2.7 95.3 1.0
OG1 D:THR633 2.8 90.8 1.0
O D:HIS563 3.2 86.6 1.0
CB D:THR633 3.5 90.0 1.0
OE2 D:GLU592 3.6 104.3 1.0
O D:HOH906 3.6 77.4 1.0
O D:THR633 3.6 90.9 1.0
CG D:ASP564 3.7 95.2 1.0
CD2 D:HIS595 3.9 95.3 1.0
CD2 D:HIS563 3.9 87.0 1.0
CG D:GLU592 3.9 97.1 1.0
OD2 D:ASP564 4.1 98.2 1.0
O D:HOH905 4.1 98.5 1.0
C D:THR633 4.1 90.6 1.0
CD D:GLU592 4.2 101.0 1.0
NE2 D:HIS595 4.2 96.4 1.0
C D:HIS563 4.3 86.8 1.0
ZN D:ZN801 4.3 90.0 1.0
CA D:THR633 4.4 89.9 1.0
OD2 D:ASP674 4.6 102.5 1.0
CG2 D:THR633 4.7 89.7 1.0
NE2 D:HIS563 4.7 87.9 1.0
CG D:HIS563 4.7 86.1 1.0
O D:ILE630 4.8 85.7 1.0
CB D:ASP564 4.8 89.8 1.0
CA D:ASP564 4.8 88.2 1.0
N D:ASP564 5.0 87.3 1.0
OD1 D:ASP674 5.0 101.1 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: Mon Sep 30 04:32:53 2024

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