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Magnesium in PDB 5sjv: Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline, PDB code: 5sjv was solved by C.Joseph, J.Benz, A.Flohr, K.Groebke-Zbinden, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.77 / 1.94
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 136.087, 136.087, 236.248, 90, 90, 120
R / Rfree (%) 17.3 / 21.6

Other elements in 5sjv:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline (pdb code 5sjv). 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 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline, PDB code: 5sjv:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5sjv

Go back to Magnesium Binding Sites List in 5sjv
Magnesium binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline


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 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:25.6
occ:1.00
 O A:HOH1035 1.9 25.9 1.0
OD1 A:ASP564 2.0 23.0 1.0
O A:HOH938 2.0 24.1 1.0
O A:HOH978 2.0 24.8 1.0
O A:HOH968 2.2 21.7 1.0
O A:HOH945 2.2 22.3 1.0
CG A:ASP564 3.0 25.2 1.0
OD2 A:ASP564 3.4 26.3 1.0
ZN A:ZN801 3.7 30.9 1.0
O A:HOH1052 3.8 44.8 1.0
O A:HOH1013 3.9 34.1 1.0
OE2 A:GLU592 4.1 28.6 1.0
NE2 A:HIS595 4.1 25.8 1.0
O A:HOH1012 4.3 27.5 1.0
OG1 A:THR633 4.3 25.1 1.0
CD2 A:HIS567 4.3 25.1 1.0
O A:HIS563 4.3 25.3 1.0
CD2 A:HIS563 4.4 23.3 1.0
CB A:ASP564 4.4 27.0 1.0
CD2 A:HIS595 4.4 22.7 1.0
NE2 A:HIS567 4.6 23.0 1.0
O A:THR633 4.6 29.1 1.0
CD2 A:HIS525 4.6 29.2 1.0
OD2 A:ASP674 4.6 32.6 1.0
NE2 A:HIS525 4.6 28.9 1.0
NE2 A:HIS563 4.7 24.7 1.0
CB A:THR633 4.7 26.0 1.0
CA A:ASP564 4.8 23.9 1.0
CG A:GLU592 4.8 27.7 1.0
CD A:GLU592 4.9 29.8 1.0

Magnesium binding site 2 out of 4 in 5sjv

Go back to Magnesium Binding Sites List in 5sjv
Magnesium binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline


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 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg802

b:21.4
occ:1.00
 O B:HOH964 2.0 22.4 1.0
O B:HOH962 2.0 18.8 1.0
O B:HOH1025 2.1 23.5 1.0
O B:HOH944 2.1 22.3 1.0
OD1 B:ASP564 2.1 24.2 1.0
O B:HOH1003 2.1 19.6 1.0
CG B:ASP564 3.1 22.6 1.0
OD2 B:ASP564 3.4 22.7 1.0
ZN B:ZN801 3.7 28.4 1.0
O B:HOH1072 3.9 37.7 1.0
OE2 B:GLU592 4.0 26.9 1.0
NE2 B:HIS595 4.0 22.9 1.0
O B:HOH990 4.1 34.2 1.0
OG1 B:THR633 4.2 22.7 1.0
CD2 B:HIS563 4.2 22.0 1.0
O B:HIS563 4.3 24.0 1.0
CD2 B:HIS567 4.3 24.2 1.0
O B:HOH995 4.3 25.9 1.0
CD2 B:HIS595 4.3 23.4 1.0
CB B:ASP564 4.4 20.7 1.0
OD2 B:ASP674 4.5 26.1 1.0
NE2 B:HIS567 4.5 23.1 1.0
NE2 B:HIS563 4.6 21.4 1.0
CD2 B:HIS525 4.6 24.2 1.0
O B:THR633 4.6 23.9 1.0
NE2 B:HIS525 4.7 28.6 1.0
CB B:THR633 4.7 24.8 1.0
CA B:ASP564 4.8 21.1 1.0
CG B:GLU592 4.8 28.2 1.0
CD B:GLU592 4.9 26.6 1.0

Magnesium binding site 3 out of 4 in 5sjv

Go back to Magnesium Binding Sites List in 5sjv
Magnesium binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline


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 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg802

b:25.9
occ:1.00
 OD1 C:ASP564 2.0 22.4 1.0
O C:HOH1005 2.0 23.1 1.0
O C:HOH944 2.0 24.0 1.0
O C:HOH1045 2.1 25.0 1.0
O C:HOH965 2.1 21.5 1.0
O C:HOH927 2.2 21.9 1.0
CG C:ASP564 3.0 24.4 1.0
OD2 C:ASP564 3.4 23.0 1.0
ZN C:ZN801 3.8 30.5 1.0
O C:HOH1053 3.9 39.9 1.0
OE2 C:GLU592 4.0 27.9 1.0
NE2 C:HIS595 4.0 24.6 1.0
O C:HOH1000 4.0 35.7 1.0
OG1 C:THR633 4.2 25.6 1.0
O C:HOH1016 4.2 28.0 1.0
CD2 C:HIS563 4.3 24.4 1.0
CD2 C:HIS567 4.3 25.2 1.0
CD2 C:HIS595 4.3 23.5 1.0
O C:HIS563 4.3 25.3 1.0
CB C:ASP564 4.4 22.9 1.0
OD2 C:ASP674 4.5 32.1 1.0
O C:THR633 4.5 25.9 1.0
NE2 C:HIS567 4.5 24.8 1.0
CD2 C:HIS525 4.6 28.2 1.0
NE2 C:HIS563 4.6 24.6 1.0
CB C:THR633 4.7 26.1 1.0
CA C:ASP564 4.8 24.1 1.0
NE2 C:HIS525 4.8 29.0 1.0
CG C:GLU592 4.8 24.6 1.0
CD C:GLU592 4.9 26.2 1.0

Magnesium binding site 4 out of 4 in 5sjv

Go back to Magnesium Binding Sites List in 5sjv
Magnesium binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline


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 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg802

b:34.1
occ:1.00
 O D:HOH956 2.0 25.1 1.0
O D:HOH957 2.1 25.2 1.0
O D:HOH921 2.1 25.5 1.0
O D:HOH983 2.1 30.3 1.0
O D:HOH912 2.2 28.5 1.0
OD1 D:ASP564 2.2 30.8 1.0
CG D:ASP564 3.2 29.1 1.0
OD2 D:ASP564 3.6 27.7 1.0
ZN D:ZN801 3.8 33.4 1.0
O D:HOH968 4.0 36.0 1.0
OE2 D:GLU592 4.0 32.9 1.0
NE2 D:HIS595 4.0 31.3 1.0
O D:HOH984 4.1 33.8 1.0
OG1 D:THR633 4.2 30.4 1.0
CD2 D:HIS567 4.3 34.6 1.0
CD2 D:HIS595 4.3 33.4 1.0
CD2 D:HIS563 4.3 29.1 1.0
O D:HIS563 4.4 26.7 1.0
O D:THR633 4.4 31.6 1.0
OD2 D:ASP674 4.5 34.6 1.0
NE2 D:HIS567 4.5 30.1 1.0
CB D:ASP564 4.5 27.4 1.0
CD2 D:HIS525 4.6 32.7 1.0
NE2 D:HIS525 4.6 36.0 1.0
CB D:THR633 4.7 32.7 1.0
NE2 D:HIS563 4.7 25.9 1.0
CD D:GLU592 4.9 33.1 1.0
CA D:ASP564 4.9 27.5 1.0
CG D:GLU592 4.9 35.8 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 04:27:08 2024

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