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Zinc in PDB 5sj0: Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Cyclohexyl-N-Methyl-9H-Purin-6-Amine

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Cyclohexyl-N-Methyl-9H-Purin-6-Amine

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Cyclohexyl-N-Methyl-9H-Purin-6-Amine:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Cyclohexyl-N-Methyl-9H-Purin-6-Amine, PDB code: 5sj0 was solved by C.Joseph, J.Benz, A.Flohr, M.Maurer, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.30 / 2.35
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.83, 134.83, 233.731, 90, 90, 120
R / Rfree (%) 17.9 / 23.2

Other elements in 5sj0:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Cyclohexyl-N-Methyl-9H-Purin-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 N- Cyclohexyl-N-Methyl-9H-Purin-6-Amine (pdb code 5sj0). 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 N- Cyclohexyl-N-Methyl-9H-Purin-6-Amine, PDB code: 5sj0:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sj0

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Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Cyclohexyl-N-Methyl-9H-Purin-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 N- Cyclohexyl-N-Methyl-9H-Purin-6-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:38.5
occ:1.00
 OD2 A:ASP564 2.0 37.6 1.0
NE2 A:HIS563 2.0 28.2 1.0
NE2 A:HIS529 2.0 33.5 1.0
OD1 A:ASP674 2.2 40.7 1.0
O A:HOH969 2.2 37.0 1.0
O A:HOH935 2.3 34.9 1.0
CE1 A:HIS563 2.9 30.8 1.0
CD2 A:HIS529 2.9 33.1 1.0
CD2 A:HIS563 3.0 31.1 1.0
CG A:ASP564 3.0 32.9 1.0
CG A:ASP674 3.0 39.1 1.0
CE1 A:HIS529 3.0 30.8 1.0
OD2 A:ASP674 3.3 49.0 1.0
OD1 A:ASP564 3.6 30.2 1.0
MG A:MG802 3.7 33.3 1.0
ND1 A:HIS563 4.0 28.8 1.0
CG A:HIS563 4.1 29.9 1.0
CG A:HIS529 4.1 28.8 1.0
ND1 A:HIS529 4.1 34.3 1.0
CB A:ASP564 4.1 30.9 1.0
O A:HOH971 4.1 32.3 1.0
O A:HOH938 4.2 50.8 1.0
CD2 A:HIS525 4.2 37.3 1.0
CB A:ASP674 4.4 36.5 1.0
NE2 A:HIS525 4.5 38.5 1.0
CG2 A:VAL533 4.7 29.9 1.0
O A:HOH937 4.7 26.7 1.0
O A:HOH957 4.7 50.9 1.0
O A:ASP674 4.8 39.0 1.0
CA A:ASP674 4.9 33.5 1.0
O A:HOH940 5.0 32.3 1.0

Zinc binding site 2 out of 4 in 5sj0

Go back to Zinc Binding Sites List in 5sj0
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Cyclohexyl-N-Methyl-9H-Purin-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 N- Cyclohexyl-N-Methyl-9H-Purin-6-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:36.8
occ:1.00
 O B:HOH920 2.0 30.7 1.0
OD2 B:ASP564 2.0 34.6 1.0
NE2 B:HIS563 2.1 31.0 1.0
NE2 B:HIS529 2.1 31.2 1.0
OD1 B:ASP674 2.2 34.5 1.0
O B:HOH936 2.3 38.4 1.0
CG B:ASP674 3.0 36.2 1.0
CE1 B:HIS563 3.1 33.3 1.0
CD2 B:HIS529 3.1 33.3 1.0
CD2 B:HIS563 3.1 30.5 1.0
CG B:ASP564 3.1 33.2 1.0
CE1 B:HIS529 3.1 33.8 1.0
OD2 B:ASP674 3.2 43.1 1.0
OD1 B:ASP564 3.6 32.0 1.0
MG B:MG802 3.8 32.4 1.0
O B:HOH972 4.1 32.2 1.0
CD2 B:HIS525 4.1 38.6 1.0
ND1 B:HIS563 4.2 30.4 1.0
O B:HOH937 4.2 44.6 1.0
CG B:HIS563 4.2 31.2 1.0
ND1 B:HIS529 4.2 33.2 1.0
CG B:HIS529 4.2 32.9 1.0
CB B:ASP564 4.2 33.0 1.0
NE2 B:HIS525 4.4 42.6 1.0
CB B:ASP674 4.4 36.6 1.0
O B:HOH934 4.7 28.9 1.0
CG2 B:VAL533 4.7 31.2 1.0
O B:ASP674 4.8 34.8 1.0
O B:HOH959 4.8 57.1 1.0
CA B:ASP674 4.9 33.8 1.0

Zinc binding site 3 out of 4 in 5sj0

Go back to Zinc Binding Sites List in 5sj0
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Cyclohexyl-N-Methyl-9H-Purin-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 N- Cyclohexyl-N-Methyl-9H-Purin-6-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:41.2
occ:1.00
 O C:HOH932 2.0 33.4 1.0
NE2 C:HIS563 2.1 32.6 1.0
OD2 C:ASP564 2.1 34.3 1.0
NE2 C:HIS529 2.1 33.8 1.0
OD1 C:ASP674 2.1 33.2 1.0
CG C:ASP674 3.0 33.6 1.0
CD2 C:HIS563 3.0 34.0 1.0
CD2 C:HIS529 3.1 35.4 1.0
CG C:ASP564 3.1 34.7 1.0
CE1 C:HIS529 3.1 34.4 1.0
CE1 C:HIS563 3.1 36.4 1.0
OD2 C:ASP674 3.1 34.5 1.0
OD1 C:ASP564 3.6 35.1 1.0
MG C:MG802 3.7 31.4 1.0
CG C:HIS563 4.2 31.7 1.0
O C:HOH979 4.2 29.6 1.0
ND1 C:HIS563 4.2 30.8 1.0
CD2 C:HIS525 4.2 40.4 1.0
ND1 C:HIS529 4.2 34.5 1.0
CG C:HIS529 4.2 34.0 1.0
CB C:ASP564 4.3 36.4 1.0
O C:HOH964 4.4 45.8 1.0
CB C:ASP674 4.4 35.1 1.0
O C:HOH943 4.5 36.9 1.0
NE2 C:HIS525 4.6 43.3 1.0
CG2 C:VAL533 4.7 34.4 1.0
CA C:ASP674 4.8 35.0 1.0
O C:ASP674 4.8 38.3 1.0

Zinc binding site 4 out of 4 in 5sj0

Go back to Zinc Binding Sites List in 5sj0
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Cyclohexyl-N-Methyl-9H-Purin-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 N- Cyclohexyl-N-Methyl-9H-Purin-6-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:51.9
occ:1.00
 NE2 D:HIS563 1.9 42.7 1.0
OD2 D:ASP564 2.1 56.2 1.0
O D:HOH921 2.2 35.2 1.0
NE2 D:HIS529 2.2 48.6 1.0
O D:HOH926 2.3 39.8 1.0
OD1 D:ASP674 2.3 48.5 1.0
CD2 D:HIS563 2.8 44.3 1.0
CE1 D:HIS563 3.0 47.0 1.0
CG D:ASP564 3.1 48.3 1.0
CD2 D:HIS529 3.1 54.8 1.0
CG D:ASP674 3.2 50.5 1.0
CE1 D:HIS529 3.3 53.7 1.0
OD2 D:ASP674 3.5 52.2 1.0
OD1 D:ASP564 3.7 43.8 1.0
MG D:MG802 3.8 44.3 1.0
CG D:HIS563 4.0 45.5 1.0
ND1 D:HIS563 4.1 45.4 1.0
O D:HOH924 4.1 40.3 1.0
CB D:ASP564 4.2 46.8 1.0
CG D:HIS529 4.3 50.8 1.0
ND1 D:HIS529 4.3 53.4 1.0
CD2 D:HIS525 4.4 59.8 1.0
O D:HOH905 4.6 45.9 1.0
CB D:ASP674 4.6 53.6 1.0
CG2 D:VAL533 4.7 46.5 1.0
NE2 D:HIS525 4.8 59.4 1.0
O D:ASP674 4.8 52.6 1.0
CA D:ASP674 5.0 51.2 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 05:53:47 2024

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