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Zinc in PDB 5sj5: Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine

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

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine, PDB code: 5sj5 was solved by C.Joseph, J.Benz, A.Flohr, H.Isenring, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.40 / 2.49
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.909, 134.909, 234.94, 90, 90, 120
R / Rfree (%) 16.9 / 23.9

Other elements in 5sj5:

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

Magnesium (Mg) 4 atoms
Chlorine (Cl) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine (pdb code 5sj5). 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- Chloroquinoxalin-2-Amine, PDB code: 5sj5:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sj5

Go back to Zinc Binding Sites List in 5sj5
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-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 6- Chloroquinoxalin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:45.6
occ:1.00
 OD2 A:ASP564 1.9 41.9 1.0
NE2 A:HIS529 2.0 46.1 1.0
OD1 A:ASP674 2.1 46.1 1.0
NE2 A:HIS563 2.2 32.5 1.0
O A:HOH943 2.3 35.5 1.0
O A:HOH931 2.3 34.5 1.0
CE1 A:HIS529 3.0 40.2 1.0
CD2 A:HIS529 3.0 41.5 1.0
CD2 A:HIS563 3.0 33.9 1.0
CG A:ASP564 3.1 38.4 1.0
CG A:ASP674 3.1 42.2 1.0
CE1 A:HIS563 3.3 39.6 1.0
OD2 A:ASP674 3.5 59.9 1.0
OD1 A:ASP564 3.7 45.7 1.0
MG A:MG802 3.8 39.5 1.0
ND1 A:HIS529 4.1 40.4 1.0
CG A:HIS529 4.1 36.3 1.0
O A:HOH925 4.1 36.6 1.0
CB A:ASP564 4.2 32.0 1.0
O A:HOH956 4.2 37.8 1.0
CG A:HIS563 4.2 36.1 1.0
CD2 A:HIS525 4.3 38.5 1.0
ND1 A:HIS563 4.3 36.0 1.0
CB A:ASP674 4.4 41.2 1.0
NE2 A:HIS525 4.5 37.6 1.0
O A:HOH930 4.5 28.8 1.0
O A:ASP674 4.6 42.0 1.0
CG2 A:VAL533 4.7 36.1 1.0
CA A:ASP674 4.9 37.3 1.0

Zinc binding site 2 out of 4 in 5sj5

Go back to Zinc Binding Sites List in 5sj5
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-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 6- Chloroquinoxalin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:37.5
occ:1.00
 OD2 B:ASP564 2.0 38.8 1.0
OD1 B:ASP674 2.1 31.8 1.0
O B:HOH941 2.1 15.6 1.0
NE2 B:HIS563 2.1 35.7 1.0
NE2 B:HIS529 2.1 33.9 1.0
O B:HOH964 2.4 26.3 1.0
CD2 B:HIS563 3.0 36.6 1.0
CG B:ASP674 3.0 31.1 1.0
CG B:ASP564 3.0 32.8 1.0
CD2 B:HIS529 3.1 34.8 1.0
CE1 B:HIS529 3.2 41.6 1.0
CE1 B:HIS563 3.2 39.3 1.0
OD2 B:ASP674 3.3 37.0 1.0
OD1 B:ASP564 3.5 29.5 1.0
MG B:MG802 3.8 31.1 1.0
O B:HOH958 4.0 25.6 1.0
CG B:HIS563 4.2 34.7 1.0
CB B:ASP564 4.2 31.4 1.0
ND1 B:HIS563 4.2 34.8 1.0
CG B:HIS529 4.3 33.7 1.0
ND1 B:HIS529 4.3 40.1 1.0
CD2 B:HIS525 4.3 39.2 1.0
O B:HOH921 4.4 40.0 1.0
CB B:ASP674 4.4 35.4 1.0
O B:HOH924 4.5 26.9 1.0
NE2 B:HIS525 4.5 34.9 1.0
O B:ASP674 4.8 35.0 1.0
CA B:ASP674 4.9 33.0 1.0
CG2 B:VAL533 4.9 34.9 1.0

Zinc binding site 3 out of 4 in 5sj5

Go back to Zinc Binding Sites List in 5sj5
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-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 6- Chloroquinoxalin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:45.6
occ:1.00
 NE2 C:HIS563 2.0 40.3 1.0
O C:HOH952 2.0 32.5 1.0
OD2 C:ASP564 2.1 40.5 1.0
OD1 C:ASP674 2.1 41.9 1.0
NE2 C:HIS529 2.2 38.5 1.0
O C:HOH915 2.2 30.2 1.0
CD2 C:HIS563 3.0 35.4 1.0
CG C:ASP674 3.0 35.8 1.0
CE1 C:HIS563 3.0 37.6 1.0
CG C:ASP564 3.1 36.9 1.0
CD2 C:HIS529 3.1 39.3 1.0
CE1 C:HIS529 3.2 43.0 1.0
OD2 C:ASP674 3.2 44.8 1.0
OD1 C:ASP564 3.6 42.7 1.0
MG C:MG802 3.8 33.8 1.0
CG C:HIS563 4.1 37.8 1.0
ND1 C:HIS563 4.1 33.6 1.0
CD2 C:HIS525 4.2 46.3 1.0
CB C:ASP564 4.3 27.5 1.0
O C:HOH964 4.3 32.6 1.0
O C:HOH937 4.3 38.4 1.0
CG C:HIS529 4.3 36.2 1.0
ND1 C:HIS529 4.3 33.4 1.0
CB C:ASP674 4.3 41.7 1.0
NE2 C:HIS525 4.3 50.2 1.0
O C:HOH926 4.5 37.2 1.0
CA C:ASP674 4.7 33.7 1.0
O C:ASP674 4.7 40.9 1.0
CG2 C:VAL533 4.8 34.2 1.0

Zinc binding site 4 out of 4 in 5sj5

Go back to Zinc Binding Sites List in 5sj5
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-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 6- Chloroquinoxalin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:50.0
occ:1.00
 NE2 D:HIS563 2.0 38.2 1.0
O D:HOH920 2.0 30.6 1.0
OD1 D:ASP674 2.2 47.7 1.0
OD2 D:ASP564 2.2 51.6 1.0
O D:HOH929 2.2 31.8 1.0
NE2 D:HIS529 2.2 49.1 1.0
CD2 D:HIS563 2.8 38.5 1.0
CG D:ASP564 3.0 48.9 1.0
CE1 D:HIS563 3.1 35.2 1.0
CG D:ASP674 3.1 39.2 1.0
CD2 D:HIS529 3.1 46.4 1.0
CE1 D:HIS529 3.3 56.9 1.0
OD2 D:ASP674 3.4 54.8 1.0
OD1 D:ASP564 3.6 41.5 1.0
MG D:MG802 3.6 49.7 1.0
O D:HOH907 3.8 42.4 1.0
CG D:HIS563 4.0 36.8 1.0
CB D:ASP564 4.1 42.8 1.0
ND1 D:HIS563 4.1 36.4 1.0
O D:HOH914 4.1 38.8 1.0
CG D:HIS529 4.3 46.6 1.0
CD2 D:HIS525 4.3 54.1 1.0
ND1 D:HIS529 4.4 44.9 1.0
CB D:ASP674 4.4 43.4 1.0
O D:HOH906 4.4 40.8 1.0
NE2 D:HIS525 4.5 47.0 1.0
O D:ASP674 4.7 59.6 1.0
CG2 D:VAL533 4.7 49.9 1.0
CA D:ASP674 4.8 45.1 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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