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Chlorine in PDB 5sjq: Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline, PDB code: 5sjq was solved by C.Joseph, J.Benz, A.Flohr, Y.Kumagai, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.54 / 2.12
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.356, 135.356, 234.938, 90, 90, 120
R / Rfree (%) 18.5 / 22.3

Other elements in 5sjq:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline (pdb code 5sjq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline, PDB code: 5sjq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5sjq

Go back to Chlorine Binding Sites List in 5sjq
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:61.4
occ:1.00
 CL12 A:K6F803 0.0 61.4 1.0
C8 A:K6F803 1.7 60.2 1.0
C4 A:K6F803 2.7 56.6 1.0
C10 A:K6F803 2.8 59.3 1.0
O A:HOH922 3.3 32.9 1.0
O A:THR685 3.5 34.0 1.0
CB A:SER677 3.9 42.4 1.0
N A:ALA689 3.9 34.9 1.0
CA A:ALA689 4.0 38.2 1.0
C1 A:K6F803 4.1 49.6 1.0
C6 A:K6F803 4.1 52.3 1.0
CB A:ALA689 4.2 38.7 1.0
CB A:THR688 4.2 34.9 1.0
CG2 A:THR685 4.2 35.2 1.0
C A:SER677 4.2 37.2 1.0
O A:SER677 4.2 36.1 1.0
CG2 A:THR688 4.2 34.6 1.0
CG1 A:VAL678 4.2 36.1 1.0
C A:THR688 4.3 36.6 1.0
C A:THR685 4.4 33.6 1.0
N A:VAL678 4.4 35.8 1.0
CA A:THR685 4.5 32.3 1.0
C2 A:K6F803 4.6 49.8 1.0
CA A:SER677 4.6 37.4 1.0
CG2 A:ILE692 4.8 53.2 1.0
CA A:VAL678 4.8 33.5 1.0
O A:THR688 4.8 35.8 1.0
CA A:THR688 4.9 33.2 1.0
CB A:THR685 4.9 35.1 1.0
OE1 A:GLN726 5.0 44.3 1.0

Chlorine binding site 2 out of 4 in 5sjq

Go back to Chlorine Binding Sites List in 5sjq
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:66.6
occ:1.00
 CL12 B:K6F803 0.0 66.6 1.0
C8 B:K6F803 1.8 66.7 1.0
C4 B:K6F803 2.8 57.6 1.0
C10 B:K6F803 2.8 57.8 1.0
O B:HOH928 3.2 32.9 1.0
O B:THR685 3.5 37.3 1.0
N B:ALA689 3.9 39.0 1.0
CB B:SER677 4.0 46.0 1.0
CA B:ALA689 4.0 38.6 1.0
CB B:ALA689 4.1 37.3 1.0
C B:SER677 4.1 44.0 1.0
C6 B:K6F803 4.1 50.5 1.0
C1 B:K6F803 4.1 49.5 1.0
O B:SER677 4.1 42.1 1.0
CB B:THR688 4.2 32.9 1.0
CG2 B:THR688 4.2 33.9 1.0
CG2 B:THR685 4.2 34.7 1.0
C B:THR688 4.3 37.4 1.0
CG1 B:VAL678 4.4 41.6 1.0
N B:VAL678 4.4 39.5 1.0
C B:THR685 4.4 37.1 1.0
CA B:THR685 4.5 35.8 1.0
C2 B:K6F803 4.6 48.0 1.0
CA B:SER677 4.7 42.2 1.0
CA B:VAL678 4.7 41.8 1.0
O B:THR688 4.7 40.6 1.0
CA B:THR688 4.8 34.3 1.0
OE1 B:GLN726 4.9 49.8 1.0
CB B:THR685 4.9 36.6 1.0

Chlorine binding site 3 out of 4 in 5sjq

Go back to Chlorine Binding Sites List in 5sjq
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl803

b:62.5
occ:1.00
 CL12 C:K6F803 0.0 62.5 1.0
C8 C:K6F803 1.8 57.4 1.0
C4 C:K6F803 2.7 49.5 1.0
C10 C:K6F803 2.8 54.7 1.0
O C:HOH919 3.4 39.2 1.0
O C:THR685 3.7 38.4 1.0
CB C:SER677 3.9 43.7 1.0
N C:ALA689 4.0 39.0 1.0
C1 C:K6F803 4.0 45.5 1.0
O C:SER677 4.0 38.2 1.0
C C:SER677 4.1 42.2 1.0
C6 C:K6F803 4.1 45.2 1.0
CA C:ALA689 4.1 42.2 1.0
CG1 C:VAL678 4.2 44.0 1.0
CB C:ALA689 4.2 37.3 1.0
CB C:THR688 4.3 36.1 1.0
CG2 C:THR685 4.3 38.0 1.0
CG2 C:THR688 4.3 38.0 1.0
N C:VAL678 4.4 41.1 1.0
C C:THR688 4.4 37.4 1.0
C2 C:K6F803 4.6 44.6 1.0
CA C:SER677 4.6 42.8 1.0
C C:THR685 4.6 38.0 1.0
CA C:VAL678 4.7 41.5 1.0
OE1 C:GLN726 4.7 54.2 1.0
CA C:THR685 4.7 35.5 1.0
O C:THR688 4.8 39.3 1.0
CA C:THR688 4.9 37.1 1.0

Chlorine binding site 4 out of 4 in 5sjq

Go back to Chlorine Binding Sites List in 5sjq
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:63.5
occ:1.00
 CL12 D:K6F803 0.0 63.5 1.0
C8 D:K6F803 1.8 62.8 1.0
C4 D:K6F803 2.7 56.3 1.0
C10 D:K6F803 2.8 64.0 1.0
O D:HOH937 3.0 45.5 1.0
O D:THR685 3.6 51.0 1.0
N D:ALA689 3.8 47.1 1.0
CG2 D:THR685 3.9 49.2 1.0
CA D:ALA689 4.0 45.9 1.0
CB D:SER677 4.0 51.6 1.0
C1 D:K6F803 4.1 53.9 1.0
CG1 D:VAL678 4.1 50.9 1.0
C6 D:K6F803 4.1 54.8 1.0
O D:SER677 4.1 40.7 1.0
CB D:ALA689 4.2 44.6 1.0
CG2 D:THR688 4.2 46.2 1.0
C D:SER677 4.2 44.6 1.0
CB D:THR688 4.2 44.8 1.0
C D:THR688 4.3 47.3 1.0
N D:VAL678 4.4 44.6 1.0
C D:THR685 4.5 48.5 1.0
CA D:THR685 4.6 48.3 1.0
C2 D:K6F803 4.6 52.7 1.0
O D:THR688 4.7 45.6 1.0
CA D:SER677 4.8 46.7 1.0
CA D:VAL678 4.8 46.6 1.0
CA D:THR688 4.8 44.4 1.0
CG2 D:ILE692 4.8 61.4 1.0
CB D:THR685 4.8 48.5 1.0
OE1 D:GLN726 4.9 58.1 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: Fri Jul 26 16:55:55 2024

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