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Chlorine in PDB 5sj6: Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine, PDB code: 5sj6 was solved by C.Joseph, J.Benz, A.Flohr, K.Groebke-Zbinden, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.51 / 2.15
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.57, 134.57, 234.494, 90, 90, 120
R / Rfree (%) 18.2 / 23.5

Other elements in 5sj6:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine 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 4-(2- Chloroquinazolin-4-Yl)Morpholine (pdb code 5sj6). 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 4-(2- Chloroquinazolin-4-Yl)Morpholine, PDB code: 5sj6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5sj6

Go back to Chlorine Binding Sites List in 5sj6
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine


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 4-(2- Chloroquinazolin-4-Yl)Morpholine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:45.9
occ:1.00
 CL11 A:JXX803 0.0 45.9 1.0
C9 A:JXX803 1.7 42.6 1.0
N8 A:JXX803 2.7 41.3 1.0
N10 A:JXX803 2.7 40.6 1.0
NE2 A:GLN726 3.5 46.0 1.0
CD1 A:PHE729 3.5 40.4 1.0
SD A:MET713 3.6 89.6 1.0
CG A:PHE729 3.7 40.3 1.0
CE2 A:PHE696 3.8 40.9 1.0
OH A:TYR693 3.9 47.5 1.0
CB A:PHE729 4.0 46.4 1.0
C7 A:JXX803 4.0 44.5 1.0
C5 A:JXX803 4.0 39.4 1.0
CE1 A:PHE729 4.2 41.4 1.0
CZ A:PHE696 4.2 40.3 1.0
CE A:MET713 4.3 84.2 1.0
CD2 A:PHE729 4.5 37.6 1.0
C6 A:JXX803 4.5 35.9 1.0
CZ A:TYR693 4.7 47.7 1.0
CG A:MET713 4.7 78.5 1.0
CD A:GLN726 4.8 45.0 1.0
CZ A:PHE729 4.8 40.2 1.0
CD2 A:PHE696 4.9 39.8 1.0
O A:GLY725 5.0 42.9 1.0
CE2 A:PHE729 5.0 37.0 1.0

Chlorine binding site 2 out of 4 in 5sj6

Go back to Chlorine Binding Sites List in 5sj6
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine


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 4-(2- Chloroquinazolin-4-Yl)Morpholine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:47.7
occ:1.00
 CL11 B:JXX803 0.0 47.7 1.0
C9 B:JXX803 1.7 47.8 1.0
N8 B:JXX803 2.6 46.4 1.0
N10 B:JXX803 2.7 51.7 1.0
SD B:MET713 3.5 72.7 1.0
CD1 B:PHE729 3.6 35.5 1.0
CG B:PHE729 3.6 34.4 1.0
NE2 B:GLN726 3.8 44.4 1.0
CB B:PHE729 3.9 36.5 1.0
CE2 B:PHE696 3.9 35.7 1.0
C7 B:JXX803 3.9 50.6 1.0
C5 B:JXX803 3.9 46.0 1.0
CE1 B:PHE729 4.2 35.3 1.0
CD2 B:PHE729 4.3 33.6 1.0
CZ B:PHE696 4.3 38.2 1.0
OH B:TYR693 4.3 43.9 1.0
C6 B:JXX803 4.4 47.0 1.0
CE B:MET713 4.5 78.8 1.0
CZ B:PHE729 4.7 36.6 1.0
CG B:MET713 4.7 66.4 1.0
CE2 B:PHE729 4.7 32.2 1.0
CD2 B:PHE696 5.0 39.4 1.0
C13 B:JXX803 5.0 54.5 1.0

Chlorine binding site 3 out of 4 in 5sj6

Go back to Chlorine Binding Sites List in 5sj6
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine


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 4-(2- Chloroquinazolin-4-Yl)Morpholine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl803

b:46.8
occ:1.00
 CL11 C:JXX803 0.0 46.8 1.0
C9 C:JXX803 1.7 44.2 1.0
N10 C:JXX803 2.6 43.6 1.0
N8 C:JXX803 2.6 46.3 1.0
SD C:MET713 3.5 83.2 1.0
CD1 C:PHE729 3.5 38.2 1.0
NE2 C:GLN726 3.6 39.8 1.0
CG C:PHE729 3.6 39.8 1.0
CB C:PHE729 3.8 41.4 1.0
C5 C:JXX803 3.8 39.2 1.0
CE2 C:PHE696 3.9 37.9 1.0
C7 C:JXX803 3.9 47.2 1.0
CE1 C:PHE729 4.1 45.2 1.0
CZ C:PHE696 4.2 35.5 1.0
CD2 C:PHE729 4.3 43.3 1.0
OH C:TYR693 4.3 45.8 1.0
C6 C:JXX803 4.4 40.2 1.0
CE C:MET713 4.4 75.3 1.0
CZ C:PHE729 4.7 44.0 1.0
CE2 C:PHE729 4.8 43.0 1.0
CD C:GLN726 4.9 51.1 1.0
C4 C:JXX803 4.9 40.7 1.0
CG C:MET713 4.9 67.1 1.0
C13 C:JXX803 5.0 58.2 1.0
CZ C:TYR693 5.0 44.3 1.0

Chlorine binding site 4 out of 4 in 5sj6

Go back to Chlorine Binding Sites List in 5sj6
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine


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 4-(2- Chloroquinazolin-4-Yl)Morpholine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:52.1
occ:1.00
 CL11 D:JXX803 0.0 52.1 1.0
C9 D:JXX803 1.7 48.2 1.0
N8 D:JXX803 2.6 45.9 1.0
N10 D:JXX803 2.7 56.1 1.0
SD D:MET713 3.5 77.8 1.0
CD1 D:PHE729 3.7 39.0 1.0
NE2 D:GLN726 3.7 56.5 1.0
CG D:PHE729 3.7 43.0 1.0
CE2 D:PHE696 3.7 45.7 1.0
CB D:PHE729 3.9 42.6 1.0
C7 D:JXX803 3.9 49.3 1.0
C5 D:JXX803 3.9 49.7 1.0
CZ D:PHE696 4.1 44.7 1.0
OH D:TYR693 4.1 57.8 1.0
CE D:MET713 4.2 78.2 1.0
CE1 D:PHE729 4.3 40.0 1.0
CD2 D:PHE729 4.3 41.5 1.0
C6 D:JXX803 4.4 45.8 1.0
CG D:MET713 4.6 62.6 1.0
C13 D:JXX803 4.7 61.7 1.0
CZ D:TYR693 4.8 55.9 1.0
CZ D:PHE729 4.8 43.8 1.0
CE2 D:PHE729 4.8 43.8 1.0
CD2 D:PHE696 4.9 48.5 1.0
N12 D:JXX803 5.0 56.5 1.0
CD D:GLN726 5.0 57.3 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 16:55:04 2024

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