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Zinc in PDB 5she: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dimethylquinoxalin-6-Amine

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

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

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dimethylquinoxalin-6-Amine, PDB code: 5she 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) 43.41 / 2.19
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.948, 134.948, 234.733, 90, 90, 120
R / Rfree (%) 18.7 / 24.2

Other elements in 5she:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dimethylquinoxalin-6-Amine also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dimethylquinoxalin-6-Amine (pdb code 5she). 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 2,3- Dimethylquinoxalin-6-Amine, PDB code: 5she:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5she

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Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dimethylquinoxalin-6-Amine


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 2,3- Dimethylquinoxalin-6-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:35.3
occ:1.00
 NE2 A:HIS563 2.0 30.2 1.0
OD2 A:ASP564 2.1 34.4 1.0
NE2 A:HIS529 2.2 39.5 1.0
OD1 A:ASP674 2.2 33.7 1.0
O A:HOH941 2.2 32.4 1.0
O A:HOH972 2.3 32.7 1.0
CD2 A:HIS563 3.0 26.8 1.0
CG A:ASP674 3.0 36.9 1.0
CE1 A:HIS563 3.0 30.9 1.0
CG A:ASP564 3.1 31.5 1.0
CE1 A:HIS529 3.1 31.9 1.0
CD2 A:HIS529 3.2 34.4 1.0
OD2 A:ASP674 3.2 42.2 1.0
OD1 A:ASP564 3.5 33.2 1.0
MG A:MG802 3.7 28.8 1.0
O A:HOH962 4.1 37.0 1.0
CG A:HIS563 4.1 30.7 1.0
ND1 A:HIS563 4.1 27.9 1.0
O A:HOH990 4.2 37.1 1.0
CD2 A:HIS525 4.2 30.1 1.0
ND1 A:HIS529 4.3 32.0 1.0
CB A:ASP564 4.3 30.8 1.0
CG A:HIS529 4.3 30.3 1.0
CB A:ASP674 4.4 32.3 1.0
NE2 A:HIS525 4.4 32.4 1.0
O A:HOH939 4.6 25.9 1.0
CG2 A:VAL533 4.7 28.9 1.0
O A:HOH998 4.8 46.9 1.0
O A:ASP674 4.9 35.3 1.0
CA A:ASP674 4.9 30.9 1.0

Zinc binding site 2 out of 4 in 5she

Go back to Zinc Binding Sites List in 5she
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dimethylquinoxalin-6-Amine


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 2,3- Dimethylquinoxalin-6-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:35.3
occ:1.00
 O B:HOH949 2.1 24.0 1.0
NE2 B:HIS563 2.1 30.4 1.0
OD2 B:ASP564 2.1 29.3 1.0
NE2 B:HIS529 2.2 27.4 1.0
O B:HOH971 2.2 30.9 1.0
OD1 B:ASP674 2.2 29.5 1.0
CG B:ASP674 3.0 28.4 1.0
CD2 B:HIS563 3.1 29.2 1.0
CD2 B:HIS529 3.1 30.9 1.0
CG B:ASP564 3.1 27.9 1.0
CE1 B:HIS563 3.1 33.3 1.0
OD2 B:ASP674 3.2 31.9 1.0
CE1 B:HIS529 3.2 31.1 1.0
OD1 B:ASP564 3.5 28.1 1.0
MG B:MG802 3.8 28.2 1.0
O B:HOH976 4.1 28.0 1.0
O B:HOH967 4.1 33.5 1.0
CD2 B:HIS525 4.2 31.3 1.0
CG B:HIS563 4.2 28.4 1.0
ND1 B:HIS563 4.2 29.6 1.0
CG B:HIS529 4.3 29.2 1.0
ND1 B:HIS529 4.3 29.4 1.0
NE2 B:HIS525 4.4 33.0 1.0
CB B:ASP564 4.4 26.4 1.0
CB B:ASP674 4.4 29.3 1.0
O B:HOH914 4.5 27.0 1.0
CG2 B:VAL533 4.7 28.1 1.0
CA B:ASP674 4.8 30.3 1.0
O B:ASP674 4.9 27.7 1.0

Zinc binding site 3 out of 4 in 5she

Go back to Zinc Binding Sites List in 5she
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dimethylquinoxalin-6-Amine


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 2,3- Dimethylquinoxalin-6-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:36.5
occ:1.00
 O C:HOH942 1.9 27.5 1.0
OD2 C:ASP564 2.1 31.9 1.0
NE2 C:HIS529 2.1 34.7 1.0
NE2 C:HIS563 2.2 35.9 1.0
O C:HOH959 2.2 33.0 1.0
OD1 C:ASP674 2.3 26.3 1.0
CG C:ASP674 3.1 30.2 1.0
CD2 C:HIS529 3.1 36.1 1.0
CD2 C:HIS563 3.1 30.5 1.0
CE1 C:HIS529 3.2 38.3 1.0
CG C:ASP564 3.2 33.0 1.0
OD2 C:ASP674 3.2 31.7 1.0
CE1 C:HIS563 3.3 34.1 1.0
OD1 C:ASP564 3.8 29.4 1.0
MG C:MG802 3.8 28.2 1.0
O C:HOH980 4.0 38.6 1.0
O C:HOH992 4.1 30.4 1.0
CD2 C:HIS525 4.2 39.1 1.0
CG C:HIS529 4.2 32.9 1.0
ND1 C:HIS529 4.3 33.2 1.0
NE2 C:HIS525 4.3 41.0 1.0
CB C:ASP564 4.3 28.1 1.0
CG C:HIS563 4.3 29.3 1.0
ND1 C:HIS563 4.3 27.9 1.0
CB C:ASP674 4.4 33.8 1.0
O C:HOH954 4.7 29.5 1.0
CA C:ASP674 4.8 35.3 1.0
CG2 C:VAL533 4.8 32.9 1.0
O C:ASP674 4.9 31.2 1.0

Zinc binding site 4 out of 4 in 5she

Go back to Zinc Binding Sites List in 5she
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dimethylquinoxalin-6-Amine


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 2,3- Dimethylquinoxalin-6-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:43.3
occ:1.00
 O D:HOH924 2.0 28.4 1.0
OD2 D:ASP564 2.1 45.9 1.0
O D:HOH960 2.2 35.9 1.0
OD1 D:ASP674 2.2 42.1 1.0
NE2 D:HIS563 2.2 34.0 1.0
NE2 D:HIS529 2.2 42.9 1.0
CD2 D:HIS563 3.0 36.1 1.0
CG D:ASP564 3.1 39.3 1.0
CG D:ASP674 3.1 41.3 1.0
CD2 D:HIS529 3.1 47.2 1.0
CE1 D:HIS529 3.3 46.1 1.0
OD2 D:ASP674 3.3 40.9 1.0
CE1 D:HIS563 3.3 41.2 1.0
OD1 D:ASP564 3.7 42.3 1.0
MG D:MG802 3.9 39.7 1.0
CB D:ASP564 4.1 40.5 1.0
O D:HOH929 4.1 45.6 1.0
O D:HOH952 4.2 35.2 1.0
CG D:HIS563 4.2 35.6 1.0
CD2 D:HIS525 4.3 46.7 1.0
CG D:HIS529 4.3 45.5 1.0
ND1 D:HIS563 4.4 38.2 1.0
ND1 D:HIS529 4.4 49.0 1.0
CB D:ASP674 4.5 45.4 1.0
O D:HOH909 4.6 40.6 1.0
NE2 D:HIS525 4.6 49.1 1.0
CG2 D:VAL533 4.7 49.7 1.0
O D:ASP674 4.8 44.6 1.0
CA D:ASP674 4.9 42.7 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 Oct 28 05:27:06 2024

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