Atomistry » Zinc » PDB 5si3-5sj7 » 5sih
Atomistry »
  Zinc »
    PDB 5si3-5sj7 »
      5sih »

Zinc in PDB 5sih: Crystal Structure of Human Phosphodiesterase 10 in Complex with 6-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine, PDB code: 5sih was solved by C.Joseph, J.Benz, A.Flohr, M.Brunner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.69 / 1.90
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.7, 135.7, 235.82, 90, 90, 120
R / Rfree (%) 19.4 / 24.3

Other elements in 5sih:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine 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 6-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine (pdb code 5sih). 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-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine, PDB code: 5sih:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sih

Go back to Zinc Binding Sites List in 5sih
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine


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-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:22.9
occ:1.00
 NE2 A:HIS563 2.1 16.9 1.0
O A:HOH924 2.1 17.2 1.0
NE2 A:HIS529 2.1 22.2 1.0
OD1 A:ASP674 2.2 18.7 1.0
OD2 A:ASP564 2.2 18.4 1.0
O A:HOH998 2.3 26.4 1.0
CD2 A:HIS563 3.0 17.2 1.0
CG A:ASP674 3.0 23.4 1.0
CE1 A:HIS563 3.1 18.3 1.0
CD2 A:HIS529 3.1 26.0 1.0
CE1 A:HIS529 3.1 20.8 1.0
CG A:ASP564 3.2 21.9 1.0
OD2 A:ASP674 3.3 24.2 1.0
OD1 A:ASP564 3.6 22.1 1.0
MG A:MG802 3.7 18.0 1.0
CG A:HIS563 4.1 17.5 1.0
CD2 A:HIS525 4.2 21.1 1.0
ND1 A:HIS563 4.2 17.7 1.0
O A:HOH972 4.2 27.0 1.0
ND1 A:HIS529 4.2 19.8 1.0
CG A:HIS529 4.2 22.9 1.0
O A:HOH1036 4.3 18.6 1.0
CB A:ASP564 4.4 20.3 1.0
CB A:ASP674 4.4 22.2 1.0
NE2 A:HIS525 4.5 21.2 1.0
O A:HOH931 4.6 13.7 1.0
CG2 A:VAL533 4.7 18.9 1.0
CA A:ASP674 4.9 20.6 1.0
O A:ASP674 4.9 18.1 1.0

Zinc binding site 2 out of 4 in 5sih

Go back to Zinc Binding Sites List in 5sih
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine


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-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:18.8
occ:1.00
 O B:HOH917 2.1 9.3 1.0
NE2 B:HIS563 2.1 17.8 1.0
OD1 B:ASP674 2.2 9.1 1.0
OD2 B:ASP564 2.2 14.0 1.0
NE2 B:HIS529 2.2 19.1 1.0
O B:HOH1005 2.4 31.4 1.0
CD2 B:HIS563 2.9 15.3 1.0
CG B:ASP674 3.1 14.1 1.0
CG B:ASP564 3.1 16.0 1.0
CE1 B:HIS529 3.2 17.1 1.0
CE1 B:HIS563 3.2 19.3 1.0
CD2 B:HIS529 3.2 19.6 1.0
OD2 B:ASP674 3.3 14.8 1.0
OD1 B:ASP564 3.5 20.9 1.0
MG B:MG802 3.6 9.6 1.0
O B:HOH1021 4.0 12.9 1.0
CD2 B:HIS525 4.1 18.9 1.0
CG B:HIS563 4.1 14.4 1.0
CB B:ASP564 4.3 13.6 1.0
ND1 B:HIS563 4.3 15.5 1.0
ND1 B:HIS529 4.3 16.5 1.0
CG B:HIS529 4.4 19.2 1.0
NE2 B:HIS525 4.4 23.4 1.0
O B:HOH1016 4.4 33.5 1.0
CB B:ASP674 4.5 15.5 1.0
O B:HOH961 4.6 9.3 1.0
O B:HOH1098 4.6 45.7 1.0
CG2 B:VAL533 4.7 17.9 1.0
CA B:ASP674 4.9 14.9 1.0

Zinc binding site 3 out of 4 in 5sih

Go back to Zinc Binding Sites List in 5sih
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine


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-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:21.2
occ:1.00
 O C:HOH929 2.0 12.6 1.0
NE2 C:HIS529 2.0 19.1 1.0
OD2 C:ASP564 2.1 15.7 1.0
NE2 C:HIS563 2.1 16.1 1.0
OD1 C:ASP674 2.2 15.9 1.0
O C:HOH977 2.5 27.8 1.0
CD2 C:HIS529 3.0 17.8 1.0
CD2 C:HIS563 3.0 14.7 1.0
CG C:ASP564 3.1 15.6 1.0
CG C:ASP674 3.1 18.9 1.0
CE1 C:HIS529 3.1 15.5 1.0
CE1 C:HIS563 3.2 18.3 1.0
OD2 C:ASP674 3.4 23.2 1.0
OD1 C:ASP564 3.6 16.8 1.0
MG C:MG802 3.8 14.0 1.0
O C:HOH1011 4.0 15.1 1.0
CD2 C:HIS525 4.1 21.4 1.0
CG C:HIS529 4.2 16.0 1.0
ND1 C:HIS529 4.2 15.2 1.0
CG C:HIS563 4.2 16.2 1.0
O C:HOH1023 4.3 30.1 1.0
CB C:ASP564 4.3 13.7 1.0
ND1 C:HIS563 4.3 18.5 1.0
NE2 C:HIS525 4.4 22.0 1.0
CB C:ASP674 4.5 18.3 1.0
O C:HOH957 4.7 16.0 1.0
O C:HOH1087 4.7 50.2 1.0
CG2 C:VAL533 4.8 17.2 1.0
CA C:ASP674 4.8 20.0 1.0
O C:ASP674 4.9 18.3 1.0

Zinc binding site 4 out of 4 in 5sih

Go back to Zinc Binding Sites List in 5sih
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine


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-(3- Methylphenyl)Sulfanyl-2-(4-Pyridin-2-Ylpiperazin-1-Yl)-9H-Purine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:26.7
occ:1.00
 O D:HOH948 2.1 19.3 1.0
O D:HOH959 2.1 34.4 1.0
OD1 D:ASP674 2.2 17.6 1.0
NE2 D:HIS529 2.2 24.9 1.0
NE2 D:HIS563 2.2 21.1 1.0
OD2 D:ASP564 2.3 21.3 1.0
CD2 D:HIS563 3.0 21.1 1.0
CG D:ASP674 3.1 25.5 1.0
CD2 D:HIS529 3.1 26.9 1.0
CE1 D:HIS529 3.2 22.8 1.0
CG D:ASP564 3.2 25.9 1.0
OD2 D:ASP674 3.4 25.2 1.0
CE1 D:HIS563 3.4 24.0 1.0
OD1 D:ASP564 3.7 21.5 1.0
MG D:MG802 3.8 22.2 1.0
O D:HOH979 4.0 38.0 1.0
CD2 D:HIS525 4.1 28.1 1.0
O D:HOH968 4.2 18.2 1.0
CG D:HIS563 4.2 18.5 1.0
ND1 D:HIS529 4.3 21.0 1.0
CG D:HIS529 4.3 21.7 1.0
CB D:ASP564 4.4 22.4 1.0
ND1 D:HIS563 4.4 19.7 1.0
NE2 D:HIS525 4.4 28.1 1.0
CB D:ASP674 4.5 22.1 1.0
CG2 D:VAL533 4.7 22.2 1.0
O D:HOH922 4.7 29.6 1.0
O D:ASP674 4.8 25.0 1.0
CA D:ASP674 4.8 21.8 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 Oct 28 05:45:11 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy