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Zinc in PDB 5sgu: Crystal Structure of Human Phosphodiesterase 10 in Complex with 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene, PDB code: 5sgu was solved by C.Joseph, J.Benz, A.Flohr, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.70 / 2.14
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.695, 135.695, 235.377, 90, 90, 120
R / Rfree (%) 18.5 / 22.5

Other elements in 5sgu:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene 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 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene (pdb code 5sgu). 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 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene, PDB code: 5sgu:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sgu

Go back to Zinc Binding Sites List in 5sgu
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene


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 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:36.8
occ:1.00
 OD2 A:ASP564 2.1 32.3 1.0
NE2 A:HIS529 2.1 31.7 1.0
NE2 A:HIS563 2.1 27.9 1.0
OD1 A:ASP674 2.1 38.1 1.0
O A:HOH959 2.3 33.8 1.0
O A:HOH978 2.3 35.5 1.0
CD2 A:HIS563 3.0 29.4 1.0
CG A:ASP674 3.1 33.1 1.0
CG A:ASP564 3.1 32.7 1.0
CD2 A:HIS529 3.1 31.2 1.0
CE1 A:HIS529 3.1 31.1 1.0
CE1 A:HIS563 3.2 30.8 1.0
OD2 A:ASP674 3.4 36.1 1.0
OD1 A:ASP564 3.6 30.2 1.0
MG A:MG802 3.9 30.8 1.0
O A:HOH980 4.1 29.8 1.0
CG A:HIS563 4.2 31.0 1.0
ND1 A:HIS529 4.2 31.2 1.0
CD2 A:HIS525 4.2 35.1 1.0
ND1 A:HIS563 4.2 28.7 1.0
CG A:HIS529 4.2 31.7 1.0
CB A:ASP564 4.3 33.8 1.0
O A:HOH932 4.4 32.9 1.0
CB A:ASP674 4.4 33.9 1.0
NE2 A:HIS525 4.4 35.8 1.0
O A:HOH922 4.6 30.5 1.0
CG2 A:VAL533 4.7 29.8 1.0
O A:ASP674 4.7 32.9 1.0
CA A:ASP674 4.8 31.0 1.0

Zinc binding site 2 out of 4 in 5sgu

Go back to Zinc Binding Sites List in 5sgu
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene


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 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:34.6
occ:1.00
 OD1 B:ASP674 2.1 29.4 1.0
NE2 B:HIS529 2.1 27.3 1.0
NE2 B:HIS563 2.2 26.2 1.0
OD2 B:ASP564 2.2 31.1 1.0
O B:HOH958 2.2 22.5 1.0
O B:HOH966 2.3 27.9 1.0
CG B:ASP674 3.0 30.5 1.0
CD2 B:HIS563 3.1 27.1 1.0
CD2 B:HIS529 3.1 29.4 1.0
CE1 B:HIS529 3.1 30.5 1.0
CG B:ASP564 3.2 31.0 1.0
CE1 B:HIS563 3.2 28.4 1.0
OD2 B:ASP674 3.3 31.3 1.0
OD1 B:ASP564 3.6 30.4 1.0
MG B:MG802 3.8 28.9 1.0
O B:HOH982 4.0 25.5 1.0
CD2 B:HIS525 4.1 32.5 1.0
CG B:HIS563 4.2 28.7 1.0
ND1 B:HIS529 4.2 28.0 1.0
ND1 B:HIS563 4.3 27.1 1.0
CG B:HIS529 4.3 28.7 1.0
O B:HOH945 4.3 33.6 1.0
CB B:ASP564 4.4 31.9 1.0
NE2 B:HIS525 4.4 34.7 1.0
CB B:ASP674 4.4 30.4 1.0
O B:HOH952 4.5 31.4 1.0
CG2 B:VAL533 4.8 28.7 1.0
O B:ASP674 4.8 27.6 1.0
CA B:ASP674 4.8 29.8 1.0

Zinc binding site 3 out of 4 in 5sgu

Go back to Zinc Binding Sites List in 5sgu
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene


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 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:35.6
occ:1.00
 O C:HOH940 2.1 25.1 1.0
OD2 C:ASP564 2.1 29.0 1.0
NE2 C:HIS529 2.1 30.8 1.0
OD1 C:ASP674 2.2 30.0 1.0
O C:HOH977 2.2 34.3 1.0
NE2 C:HIS563 2.2 32.0 1.0
CG C:ASP674 3.0 31.3 1.0
CD2 C:HIS563 3.0 30.8 1.0
CD2 C:HIS529 3.1 32.5 1.0
CG C:ASP564 3.1 31.3 1.0
CE1 C:HIS529 3.2 31.3 1.0
OD2 C:ASP674 3.3 36.7 1.0
CE1 C:HIS563 3.3 29.4 1.0
OD1 C:ASP564 3.7 27.9 1.0
MG C:MG802 3.8 30.1 1.0
CD2 C:HIS525 4.1 36.6 1.0
CG C:HIS529 4.2 31.0 1.0
CG C:HIS563 4.2 30.6 1.0
ND1 C:HIS529 4.2 30.4 1.0
O C:HOH990 4.3 31.0 1.0
O C:HOH943 4.3 33.4 1.0
CB C:ASP564 4.3 30.2 1.0
ND1 C:HIS563 4.3 29.1 1.0
CB C:ASP674 4.4 32.4 1.0
NE2 C:HIS525 4.4 36.1 1.0
O C:HOH917 4.5 31.7 1.0
O C:HOH996 4.6 51.9 1.0
CG2 C:VAL533 4.7 29.3 1.0
CA C:ASP674 4.8 32.7 1.0
O C:ASP674 4.8 35.1 1.0

Zinc binding site 4 out of 4 in 5sgu

Go back to Zinc Binding Sites List in 5sgu
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene


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 12- Methoxy-5,7-Dimethyl-3-Propyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,7,9,11-Hexaene within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:44.2
occ:1.00
 NE2 D:HIS563 2.2 33.1 1.0
OD1 D:ASP674 2.2 43.8 1.0
OD2 D:ASP564 2.2 39.2 1.0
NE2 D:HIS529 2.2 40.4 1.0
O D:HOH938 2.2 32.9 1.0
O D:HOH937 2.3 37.9 1.0
CD2 D:HIS563 3.0 35.5 1.0
CG D:ASP674 3.1 44.1 1.0
CG D:ASP564 3.1 40.9 1.0
CD2 D:HIS529 3.2 40.9 1.0
CE1 D:HIS529 3.2 41.4 1.0
OD2 D:ASP674 3.3 47.7 1.0
CE1 D:HIS563 3.3 37.6 1.0
OD1 D:ASP564 3.6 41.0 1.0
MG D:MG802 3.9 45.3 1.0
O D:HOH943 4.1 40.0 1.0
CD2 D:HIS525 4.1 48.1 1.0
CG D:HIS563 4.2 35.9 1.0
O D:HOH923 4.2 45.8 1.0
CB D:ASP564 4.3 42.1 1.0
ND1 D:HIS529 4.3 43.5 1.0
ND1 D:HIS563 4.3 34.6 1.0
CG D:HIS529 4.3 40.1 1.0
CB D:ASP674 4.4 44.9 1.0
NE2 D:HIS525 4.4 53.7 1.0
O D:HOH926 4.5 39.5 1.0
CG2 D:VAL533 4.7 43.5 1.0
O D:ASP674 4.8 46.9 1.0
CA D:ASP674 4.9 43.0 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 05:19:15 2024

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