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Magnesium in PDB 5sj5: Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine, PDB code: 5sj5 was solved by C.Joseph, J.Benz, A.Flohr, H.Isenring, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.40 / 2.49
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.909, 134.909, 234.94, 90, 90, 120
R / Rfree (%) 16.9 / 23.9

Other elements in 5sj5:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine 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 6- Chloroquinoxalin-2-Amine (pdb code 5sj5). 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- Chloroquinoxalin-2-Amine, PDB code: 5sj5:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5sj5

Go back to Magnesium Binding Sites List in 5sj5
Magnesium binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine


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- Chloroquinoxalin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:39.5
occ:1.00
 O A:HOH956 1.8 37.8 1.0
O A:HOH931 1.9 34.5 1.0
O A:HOH930 2.0 28.8 1.0
OD1 A:ASP564 2.2 45.7 1.0
O A:HOH923 2.3 34.0 1.0
O A:HOH912 2.3 30.2 1.0
CG A:ASP564 3.0 38.4 1.0
OD2 A:ASP564 3.2 41.9 1.0
O A:HOH943 3.7 35.5 1.0
ZN A:ZN801 3.8 45.6 1.0
NE2 A:HIS595 4.1 38.3 1.0
CD2 A:HIS567 4.1 45.3 1.0
OE2 A:GLU592 4.2 49.2 1.0
O A:HOH924 4.2 42.2 1.0
OG1 A:THR633 4.3 38.2 1.0
NE2 A:HIS567 4.4 43.6 1.0
CB A:ASP564 4.4 32.0 1.0
CD2 A:HIS595 4.4 39.3 1.0
CD2 A:HIS563 4.4 33.9 1.0
O A:HIS563 4.5 41.2 1.0
NE2 A:HIS525 4.5 37.6 1.0
CD2 A:HIS525 4.5 38.5 1.0
O A:THR633 4.6 33.8 1.0
NE2 A:HIS563 4.7 32.5 1.0
CB A:THR633 4.8 33.7 1.0
CA A:ASP564 4.8 36.4 1.0
OD2 A:ASP674 4.8 59.9 1.0
CG A:GLU592 5.0 38.1 1.0
OD1 A:ASP674 5.0 46.1 1.0

Magnesium binding site 2 out of 4 in 5sj5

Go back to Magnesium Binding Sites List in 5sj5
Magnesium binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine


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- Chloroquinoxalin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg802

b:31.1
occ:1.00
 O B:HOH924 1.8 26.9 1.0
O B:HOH941 2.0 15.6 1.0
O B:HOH960 2.0 26.3 1.0
O B:HOH958 2.0 25.6 1.0
O B:HOH925 2.1 18.0 1.0
OD1 B:ASP564 2.2 29.5 1.0
CG B:ASP564 3.2 32.8 1.0
OD2 B:ASP564 3.5 38.8 1.0
ZN B:ZN801 3.8 37.5 1.0
OE2 B:GLU592 3.9 40.0 1.0
O B:HOH964 4.1 26.3 1.0
OG1 B:THR633 4.1 35.9 1.0
NE2 B:HIS595 4.1 41.2 1.0
O B:HOH940 4.1 33.7 1.0
NE2 B:HIS567 4.2 38.0 1.0
CD2 B:HIS563 4.2 36.6 1.0
CD2 B:HIS567 4.3 34.6 1.0
CD2 B:HIS595 4.4 42.0 1.0
O B:HIS563 4.4 32.5 1.0
CB B:ASP564 4.5 31.4 1.0
OD2 B:ASP674 4.5 37.0 1.0
O B:THR633 4.6 27.7 1.0
CG B:GLU592 4.6 42.5 1.0
CB B:THR633 4.6 37.7 1.0
CD2 B:HIS525 4.6 39.2 1.0
NE2 B:HIS525 4.6 34.9 1.0
NE2 B:HIS563 4.6 35.7 1.0
CD B:GLU592 4.7 43.5 1.0
O B:HOH965 4.8 34.0 1.0
CA B:ASP564 4.9 35.7 1.0

Magnesium binding site 3 out of 4 in 5sj5

Go back to Magnesium Binding Sites List in 5sj5
Magnesium binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine


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- Chloroquinoxalin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg802

b:33.8
occ:1.00
 O C:HOH915 2.0 30.2 1.0
O C:HOH964 2.0 32.6 1.0
OD1 C:ASP564 2.0 42.7 1.0
O C:HOH958 2.1 39.4 1.0
O C:HOH926 2.1 37.2 1.0
O C:HOH927 2.2 28.4 1.0
CG C:ASP564 3.1 36.9 1.0
OD2 C:ASP564 3.4 40.5 1.0
ZN C:ZN801 3.8 45.6 1.0
O C:HOH952 3.8 32.5 1.0
CD2 C:HIS567 4.0 40.7 1.0
NE2 C:HIS595 4.1 39.7 1.0
OE2 C:GLU592 4.1 41.8 1.0
NE2 C:HIS567 4.1 46.8 1.0
CD2 C:HIS563 4.2 35.4 1.0
OG1 C:THR633 4.3 31.9 1.0
O C:HOH949 4.4 37.9 1.0
O C:HIS563 4.4 43.2 1.0
OD2 C:ASP674 4.4 44.8 1.0
CB C:ASP564 4.4 27.5 1.0
CD2 C:HIS595 4.5 41.9 1.0
NE2 C:HIS525 4.5 50.2 1.0
NE2 C:HIS563 4.5 40.3 1.0
O C:THR633 4.5 51.3 1.0
CD2 C:HIS525 4.6 46.3 1.0
CA C:ASP564 4.7 30.8 1.0
CG C:GLU592 4.8 40.7 1.0
CB C:THR633 4.8 36.3 1.0
CD C:GLU592 4.9 45.2 1.0

Magnesium binding site 4 out of 4 in 5sj5

Go back to Magnesium Binding Sites List in 5sj5
Magnesium binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine


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- Chloroquinoxalin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg802

b:49.7
occ:1.00
 O D:HOH920 2.0 30.6 1.0
O D:HOH914 2.0 38.8 1.0
O D:HOH930 2.1 46.0 1.0
OD1 D:ASP564 2.1 41.5 1.0
O D:HOH906 2.2 40.8 1.0
O D:HOH936 2.3 42.8 1.0
CG D:ASP564 3.0 48.9 1.0
OD2 D:ASP564 3.3 51.6 1.0
O D:HOH929 3.5 31.8 1.0
ZN D:ZN801 3.6 50.0 1.0
O D:HOH935 4.1 45.5 1.0
CD2 D:HIS563 4.2 38.5 1.0
OG1 D:THR633 4.3 43.4 1.0
O D:THR633 4.3 42.4 1.0
CD2 D:HIS567 4.4 53.8 1.0
OD2 D:ASP674 4.4 54.8 1.0
NE2 D:HIS595 4.4 52.0 1.0
CB D:ASP564 4.4 42.8 1.0
CD2 D:HIS525 4.4 54.1 1.0
NE2 D:HIS525 4.4 47.0 1.0
OE2 D:GLU592 4.4 41.8 1.0
NE2 D:HIS567 4.5 48.8 1.0
O D:HIS563 4.5 41.9 1.0
NE2 D:HIS563 4.5 38.2 1.0
CD2 D:HIS595 4.6 54.3 1.0
CB D:THR633 4.7 40.8 1.0
CA D:ASP564 4.8 39.2 1.0
OD1 D:ASP674 4.9 47.7 1.0
O D:HOH945 4.9 42.9 1.0
CG D:GLU592 4.9 51.7 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: Mon Sep 30 04:18:53 2024

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