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Zinc in PDB 5sj6: Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine, PDB code: 5sj6 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) 43.51 / 2.15
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.57, 134.57, 234.494, 90, 90, 120
R / Rfree (%) 18.2 / 23.5

Other elements in 5sj6:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine 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 4-(2- Chloroquinazolin-4-Yl)Morpholine (pdb code 5sj6). 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 4-(2- Chloroquinazolin-4-Yl)Morpholine, PDB code: 5sj6:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sj6

Go back to Zinc Binding Sites List in 5sj6
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine


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 4-(2- Chloroquinazolin-4-Yl)Morpholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:37.3
occ:1.00
 OD2 A:ASP564 2.0 32.2 1.0
NE2 A:HIS563 2.1 25.4 1.0
O A:HOH966 2.1 32.9 1.0
NE2 A:HIS529 2.2 41.6 1.0
OD1 A:ASP674 2.2 37.4 1.0
O A:HOH985 2.2 34.5 1.0
CD2 A:HIS563 3.0 26.7 1.0
CG A:ASP564 3.1 34.3 1.0
CG A:ASP674 3.1 34.5 1.0
CD2 A:HIS529 3.1 38.7 1.0
CE1 A:HIS563 3.2 29.7 1.0
CE1 A:HIS529 3.2 36.5 1.0
OD2 A:ASP674 3.4 35.2 1.0
OD1 A:ASP564 3.6 32.8 1.0
MG A:MG802 3.7 30.8 1.0
O A:HOH999 4.0 32.7 1.0
CG A:HIS563 4.2 30.7 1.0
O A:HOH947 4.2 39.6 1.0
CD2 A:HIS525 4.2 32.9 1.0
ND1 A:HIS563 4.2 28.3 1.0
CB A:ASP564 4.2 31.3 1.0
CG A:HIS529 4.2 34.0 1.0
ND1 A:HIS529 4.2 35.2 1.0
NE2 A:HIS525 4.4 34.7 1.0
CB A:ASP674 4.4 33.5 1.0
O A:HOH943 4.5 44.3 1.0
O A:HOH930 4.6 23.4 1.0
CG2 A:VAL533 4.8 29.2 1.0
O A:ASP674 4.8 34.2 1.0
CA A:ASP674 4.9 29.9 1.0

Zinc binding site 2 out of 4 in 5sj6

Go back to Zinc Binding Sites List in 5sj6
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine


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 4-(2- Chloroquinazolin-4-Yl)Morpholine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:35.0
occ:1.00
 NE2 B:HIS563 2.1 29.0 1.0
O B:HOH975 2.2 27.6 1.0
OD1 B:ASP674 2.2 30.4 1.0
OD2 B:ASP564 2.2 29.2 1.0
NE2 B:HIS529 2.2 26.9 1.0
O B:HOH988 2.4 32.4 1.0
CD2 B:HIS563 3.0 28.7 1.0
CG B:ASP674 3.0 29.5 1.0
CG B:ASP564 3.1 29.3 1.0
CD2 B:HIS529 3.1 30.1 1.0
CE1 B:HIS563 3.2 29.3 1.0
OD2 B:ASP674 3.3 34.7 1.0
CE1 B:HIS529 3.3 31.1 1.0
OD1 B:ASP564 3.5 29.3 1.0
MG B:MG802 3.8 28.0 1.0
O B:HOH982 3.9 26.7 1.0
O B:HOH968 4.2 35.0 1.0
CG B:HIS563 4.2 30.0 1.0
CD2 B:HIS525 4.2 34.9 1.0
ND1 B:HIS563 4.3 26.9 1.0
CG B:HIS529 4.3 28.8 1.0
CB B:ASP564 4.4 29.9 1.0
ND1 B:HIS529 4.4 28.6 1.0
CB B:ASP674 4.4 30.8 1.0
O B:HOH989 4.5 37.7 1.0
O B:HOH950 4.5 28.5 1.0
NE2 B:HIS525 4.5 35.4 1.0
CG2 B:VAL533 4.8 27.9 1.0
CA B:ASP674 4.9 29.4 1.0
O B:ASP674 4.9 30.4 1.0

Zinc binding site 3 out of 4 in 5sj6

Go back to Zinc Binding Sites List in 5sj6
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine


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 4-(2- Chloroquinazolin-4-Yl)Morpholine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:37.3
occ:1.00
 O C:HOH951 2.0 25.3 1.0
NE2 C:HIS529 2.1 36.9 1.0
OD2 C:ASP564 2.1 31.6 1.0
NE2 C:HIS563 2.2 35.7 1.0
OD1 C:ASP674 2.2 28.6 1.0
O C:HOH967 2.3 37.8 1.0
CG C:ASP674 3.0 31.4 1.0
CD2 C:HIS529 3.0 36.3 1.0
CD2 C:HIS563 3.1 33.3 1.0
CE1 C:HIS529 3.1 38.3 1.0
CG C:ASP564 3.2 30.3 1.0
OD2 C:ASP674 3.2 34.7 1.0
CE1 C:HIS563 3.3 34.3 1.0
OD1 C:ASP564 3.7 30.3 1.0
MG C:MG802 3.8 30.6 1.0
O C:HOH982 4.1 32.2 1.0
O C:HOH994 4.1 38.1 1.0
CD2 C:HIS525 4.2 35.5 1.0
CG C:HIS529 4.2 30.5 1.0
ND1 C:HIS529 4.2 33.5 1.0
CG C:HIS563 4.3 32.7 1.0
ND1 C:HIS563 4.3 28.0 1.0
CB C:ASP564 4.3 28.4 1.0
NE2 C:HIS525 4.4 33.2 1.0
O C:HOH1003 4.4 40.7 1.0
CB C:ASP674 4.4 33.0 1.0
O C:HOH918 4.5 31.7 1.0
CG2 C:VAL533 4.8 31.2 1.0
O C:ASP674 4.8 35.8 1.0
CA C:ASP674 4.8 32.0 1.0

Zinc binding site 4 out of 4 in 5sj6

Go back to Zinc Binding Sites List in 5sj6
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine


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 4-(2- Chloroquinazolin-4-Yl)Morpholine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:43.2
occ:1.00
 O D:HOH934 1.9 28.5 1.0
NE2 D:HIS563 2.1 32.5 1.0
OD2 D:ASP564 2.2 44.0 1.0
OD1 D:ASP674 2.2 30.8 1.0
NE2 D:HIS529 2.3 42.8 1.0
O D:HOH956 2.4 35.5 1.0
CD2 D:HIS563 2.9 34.3 1.0
CG D:ASP564 3.1 35.7 1.0
CG D:ASP674 3.1 31.9 1.0
CD2 D:HIS529 3.2 42.7 1.0
CE1 D:HIS563 3.3 34.9 1.0
CE1 D:HIS529 3.3 42.3 1.0
OD2 D:ASP674 3.3 35.7 1.0
OD1 D:ASP564 3.6 36.2 1.0
MG D:MG802 3.7 35.9 1.0
O D:HOH945 4.0 31.4 1.0
CG D:HIS563 4.1 32.1 1.0
CD2 D:HIS525 4.2 47.4 1.0
O D:HOH948 4.2 45.3 1.0
CB D:ASP564 4.2 34.0 1.0
ND1 D:HIS563 4.3 31.7 1.0
CG D:HIS529 4.4 40.3 1.0
ND1 D:HIS529 4.4 44.3 1.0
CB D:ASP674 4.5 34.9 1.0
NE2 D:HIS525 4.5 47.8 1.0
O D:HOH908 4.6 37.2 1.0
CG2 D:VAL533 4.8 38.1 1.0
O D:ASP674 4.8 37.5 1.0
CA D:ASP674 4.9 35.7 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 05:56:26 2024

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