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Zinc 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:

Chlorine (Cl) 4 atoms
Magnesium (Mg) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline, PDB code: 5sjq:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sjq

Go back to Zinc Binding Sites List in 5sjq
Zinc 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 Zinc with other atoms in the Zn 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:Zn801

b:36.1
occ:1.00
 OD2 A:ASP564 2.0 33.5 1.0
NE2 A:HIS563 2.1 31.3 1.0
NE2 A:HIS529 2.1 35.1 1.0
OD1 A:ASP674 2.2 33.4 1.0
O A:HOH929 2.2 32.8 1.0
O A:HOH975 2.3 37.3 1.0
CD2 A:HIS563 3.0 29.3 1.0
CG A:ASP564 3.0 30.0 1.0
CD2 A:HIS529 3.0 35.5 1.0
CG A:ASP674 3.0 34.3 1.0
CE1 A:HIS529 3.1 33.3 1.0
CE1 A:HIS563 3.1 32.1 1.0
OD2 A:ASP674 3.3 39.5 1.0
OD1 A:ASP564 3.5 30.9 1.0
MG A:MG802 3.7 32.1 1.0
O A:HOH991 4.1 29.7 1.0
CD2 A:HIS525 4.1 35.8 1.0
CG A:HIS563 4.1 29.0 1.0
ND1 A:HIS563 4.2 29.8 1.0
CG A:HIS529 4.2 32.8 1.0
CB A:ASP564 4.2 29.9 1.0
ND1 A:HIS529 4.2 32.4 1.0
O A:HOH911 4.2 35.8 1.0
CB A:ASP674 4.4 31.7 1.0
NE2 A:HIS525 4.4 34.0 1.0
O A:HOH997 4.5 49.3 1.0
O A:HOH941 4.6 27.3 1.0
CG2 A:VAL533 4.7 29.8 1.0
O A:ASP674 4.8 34.1 1.0
CA A:ASP674 4.9 31.0 1.0

Zinc binding site 2 out of 4 in 5sjq

Go back to Zinc Binding Sites List in 5sjq
Zinc 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 Zinc with other atoms in the Zn 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:Zn801

b:34.2
occ:1.00
 O B:HOH943 2.1 23.9 1.0
OD1 B:ASP674 2.1 30.0 1.0
NE2 B:HIS563 2.1 26.9 1.0
OD2 B:ASP564 2.2 29.7 1.0
NE2 B:HIS529 2.2 27.1 1.0
O B:HOH984 2.2 34.5 1.0
CG B:ASP674 3.0 32.2 1.0
CD2 B:HIS563 3.1 28.6 1.0
CG B:ASP564 3.1 29.8 1.0
CD2 B:HIS529 3.1 28.6 1.0
CE1 B:HIS563 3.2 30.3 1.0
CE1 B:HIS529 3.3 30.9 1.0
OD2 B:ASP674 3.3 33.7 1.0
OD1 B:ASP564 3.5 28.4 1.0
MG B:MG802 3.8 30.1 1.0
O B:HOH986 4.0 30.1 1.0
O B:HOH953 4.1 35.2 1.0
CD2 B:HIS525 4.2 31.6 1.0
CG B:HIS563 4.2 30.3 1.0
ND1 B:HIS563 4.3 29.0 1.0
CB B:ASP564 4.3 29.4 1.0
CG B:HIS529 4.3 29.0 1.0
ND1 B:HIS529 4.3 27.9 1.0
CB B:ASP674 4.4 31.7 1.0
NE2 B:HIS525 4.5 31.3 1.0
O B:HOH936 4.5 28.2 1.0
CG2 B:VAL533 4.7 28.5 1.0
O B:ASP674 4.8 33.0 1.0
CA B:ASP674 4.8 31.6 1.0

Zinc binding site 3 out of 4 in 5sjq

Go back to Zinc Binding Sites List in 5sjq
Zinc 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 Zinc with other atoms in the Zn 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:Zn801

b:36.8
occ:1.00
 O C:HOH924 2.0 25.4 1.0
NE2 C:HIS563 2.1 34.1 1.0
NE2 C:HIS529 2.1 32.8 1.0
OD2 C:ASP564 2.2 30.3 1.0
OD1 C:ASP674 2.2 31.0 1.0
O C:HOH980 2.4 35.5 1.0
CD2 C:HIS563 3.0 32.0 1.0
CG C:ASP674 3.0 32.5 1.0
CD2 C:HIS529 3.1 32.1 1.0
CG C:ASP564 3.1 30.9 1.0
OD2 C:ASP674 3.2 34.4 1.0
CE1 C:HIS529 3.2 35.7 1.0
CE1 C:HIS563 3.2 33.9 1.0
OD1 C:ASP564 3.6 34.6 1.0
MG C:MG802 3.8 31.0 1.0
CG C:HIS563 4.2 32.4 1.0
CD2 C:HIS525 4.2 39.5 1.0
CG C:HIS529 4.2 33.0 1.0
O C:HOH998 4.3 31.4 1.0
O C:HOH964 4.3 38.9 1.0
ND1 C:HIS563 4.3 32.0 1.0
CB C:ASP564 4.3 30.2 1.0
ND1 C:HIS529 4.3 33.4 1.0
CB C:ASP674 4.4 35.0 1.0
NE2 C:HIS525 4.5 40.6 1.0
O C:HOH946 4.6 33.7 1.0
CG2 C:VAL533 4.8 30.1 1.0
CA C:ASP674 4.8 33.9 1.0
O C:ASP674 4.8 36.6 1.0

Zinc binding site 4 out of 4 in 5sjq

Go back to Zinc Binding Sites List in 5sjq
Zinc 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 Zinc with other atoms in the Zn 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:Zn801

b:42.3
occ:1.00
 O D:HOH923 2.1 29.4 1.0
NE2 D:HIS563 2.2 34.2 1.0
OD2 D:ASP564 2.2 39.5 1.0
NE2 D:HIS529 2.2 42.0 1.0
O D:HOH955 2.2 38.5 1.0
OD1 D:ASP674 2.2 36.3 1.0
CD2 D:HIS563 3.0 34.9 1.0
CG D:ASP564 3.1 35.9 1.0
CG D:ASP674 3.1 37.5 1.0
CE1 D:HIS529 3.2 41.8 1.0
CD2 D:HIS529 3.2 42.7 1.0
CE1 D:HIS563 3.3 36.4 1.0
OD2 D:ASP674 3.3 41.2 1.0
OD1 D:ASP564 3.6 38.0 1.0
MG D:MG802 3.8 39.5 1.0
O D:HOH945 4.0 40.3 1.0
O D:HOH930 4.1 39.5 1.0
CB D:ASP564 4.2 36.1 1.0
CG D:HIS563 4.2 33.0 1.0
CD2 D:HIS525 4.2 44.0 1.0
ND1 D:HIS529 4.3 40.8 1.0
CG D:HIS529 4.3 39.4 1.0
ND1 D:HIS563 4.3 32.7 1.0
O D:HOH908 4.5 35.1 1.0
CB D:ASP674 4.5 38.1 1.0
NE2 D:HIS525 4.5 45.1 1.0
CG2 D:VAL533 4.8 42.1 1.0
O D:ASP674 4.8 41.6 1.0
CA D:ASP674 4.9 38.5 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 Oct 28 06:06:32 2024

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