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Chlorine in PDB 5sk9: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline, PDB code: 5sk9 was solved by C.Joseph, J.Benz, A.Flohr, M.Boehringer, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.64 / 2.82
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.698, 135.698, 234.384, 90, 90, 120
R / Rfree (%) 21.2 / 23.9

Other elements in 5sk9:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline 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 2- Chloro-5-Methoxy-3-Methylquinoxaline (pdb code 5sk9). 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 2- Chloro-5-Methoxy-3-Methylquinoxaline, PDB code: 5sk9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5sk9

Go back to Chlorine Binding Sites List in 5sk9
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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 2- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:72.4
occ:1.00
 CL14 A:KD4803 0.0 72.4 1.0
C10 A:KD4803 1.7 72.2 1.0
N5 A:KD4803 2.6 72.1 1.0
C9 A:KD4803 2.8 72.5 1.0
C13 A:KD4803 3.1 72.6 1.0
CD2 A:LEU675 3.8 65.8 1.0
C2 A:KD4803 3.8 72.3 1.0
CD1 A:ILE692 3.9 63.0 1.0
N4 A:KD4803 4.0 72.6 1.0
CA A:LEU675 4.0 61.5 1.0
OH A:TYR524 4.1 58.0 1.0
CG1 A:VAL678 4.2 59.8 1.0
O A:LEU675 4.2 61.4 1.0
CB A:SER677 4.2 62.6 1.0
CB A:LEU675 4.4 62.2 1.0
C1 A:KD4803 4.4 72.8 1.0
OG A:SER677 4.4 65.5 1.0
CE2 A:PHE729 4.4 63.7 1.0
C A:LEU675 4.5 61.0 1.0
CZ A:PHE729 4.7 63.6 1.0
O A:ASP674 4.7 61.1 1.0
CG A:LEU675 4.8 64.8 1.0
CZ A:TYR524 4.9 56.6 1.0
C6 A:KD4803 5.0 72.5 1.0
CG1 A:ILE692 5.0 61.9 1.0

Chlorine binding site 2 out of 4 in 5sk9

Go back to Chlorine Binding Sites List in 5sk9
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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 2- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:67.7
occ:1.00
 CL14 B:KD4803 0.0 67.7 1.0
C10 B:KD4803 1.7 65.3 1.0
N5 B:KD4803 2.6 63.5 1.0
C9 B:KD4803 2.7 64.8 1.0
C13 B:KD4803 3.1 64.8 1.0
CD1 B:ILE692 3.6 62.2 1.0
C2 B:KD4803 3.9 62.5 1.0
N4 B:KD4803 3.9 63.9 1.0
CB B:SER677 4.0 63.6 1.0
OH B:TYR524 4.0 61.9 1.0
CD2 B:LEU675 4.1 61.7 1.0
CG1 B:VAL678 4.2 63.9 1.0
OG B:SER677 4.2 64.2 1.0
O B:LEU675 4.3 62.4 1.0
CA B:LEU675 4.3 61.4 1.0
C1 B:KD4803 4.4 62.7 1.0
CE2 B:PHE729 4.5 64.2 1.0
C B:LEU675 4.6 62.0 1.0
CB B:LEU675 4.7 61.5 1.0
CG1 B:ILE692 4.8 61.0 1.0
CZ B:PHE729 4.8 63.8 1.0
O B:ASP674 4.8 61.4 1.0
CZ B:TYR524 4.9 59.4 1.0
C6 B:KD4803 5.0 61.3 1.0

Chlorine binding site 3 out of 4 in 5sk9

Go back to Chlorine Binding Sites List in 5sk9
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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 2- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl803

b:65.4
occ:1.00
 CL14 C:KD4803 0.0 65.4 1.0
C10 C:KD4803 1.7 64.6 1.0
N5 C:KD4803 2.6 64.3 1.0
C9 C:KD4803 2.8 64.3 1.0
C13 C:KD4803 3.1 64.1 1.0
CD1 C:ILE692 3.7 63.3 1.0
C2 C:KD4803 3.8 64.5 1.0
N4 C:KD4803 4.0 64.3 1.0
OH C:TYR524 4.0 62.9 1.0
CD2 C:LEU675 4.1 63.2 1.0
CB C:SER677 4.3 66.7 1.0
CA C:LEU675 4.4 60.6 1.0
C1 C:KD4803 4.4 64.7 1.0
CG1 C:VAL678 4.4 62.3 1.0
OG C:SER677 4.5 70.5 1.0
CE2 C:PHE729 4.5 66.8 1.0
O C:LEU675 4.6 61.8 1.0
CZ C:PHE729 4.7 66.0 1.0
CG1 C:ILE692 4.7 61.8 1.0
CB C:LEU675 4.7 61.1 1.0
CZ C:TYR524 4.8 61.1 1.0
C C:LEU675 4.8 61.4 1.0
O C:ASP674 4.9 60.5 1.0
C6 C:KD4803 5.0 64.7 1.0

Chlorine binding site 4 out of 4 in 5sk9

Go back to Chlorine Binding Sites List in 5sk9
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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 2- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:92.5
occ:1.00
 CL14 D:KD4803 0.0 92.5 1.0
C10 D:KD4803 1.7 91.7 1.0
N5 D:KD4803 2.6 90.9 1.0
C9 D:KD4803 2.8 91.8 1.0
C13 D:KD4803 3.1 91.9 1.0
CD1 D:ILE692 3.7 93.2 1.0
OH D:TYR524 3.8 89.7 1.0
C2 D:KD4803 3.9 90.5 1.0
CD2 D:LEU675 4.0 92.9 1.0
N4 D:KD4803 4.0 91.3 1.0
CA D:LEU675 4.1 91.0 1.0
CB D:SER677 4.1 95.5 1.0
O D:LEU675 4.3 90.9 1.0
OG D:SER677 4.4 97.1 1.0
C1 D:KD4803 4.4 90.8 1.0
CG1 D:VAL678 4.4 96.4 1.0
O D:HOH904 4.5 74.0 1.0
CB D:LEU675 4.5 91.0 1.0
C D:LEU675 4.5 91.4 1.0
CZ D:TYR524 4.6 87.9 1.0
O D:ASP674 4.7 90.8 1.0
CE2 D:PHE729 4.7 106.8 1.0
CG1 D:ILE692 4.8 92.4 1.0
CE2 D:TYR524 4.9 86.7 1.0
CZ D:PHE729 4.9 106.3 1.0
CG D:LEU675 4.9 92.2 1.0
C6 D:KD4803 5.0 90.1 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 16:59:01 2024

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