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Chlorine 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
Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine, PDB code: 5sj5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5sj5

Go back to Chlorine Binding Sites List in 5sj5
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl803

b:75.9
occ:1.00
 CL11 A:JXO803 0.0 75.9 1.0
C7 A:JXO803 1.7 57.1 1.0
C10 A:JXO803 2.7 61.8 1.0
C3 A:JXO803 2.7 44.1 1.0
O A:HOH945 3.6 37.4 1.0
O A:LEU675 3.6 34.3 1.0
CA A:LEU675 3.7 38.9 1.0
OH A:TYR524 3.7 36.8 1.0
OG A:SER677 3.8 72.3 1.0
C A:LEU675 3.9 39.3 1.0
CG1 A:VAL678 4.0 38.2 1.0
C6 A:JXO803 4.0 51.2 1.0
C1 A:JXO803 4.0 46.0 1.0
CB A:SER677 4.0 55.6 1.0
O A:HOH925 4.1 36.6 1.0
CD2 A:LEU675 4.1 44.9 1.0
CB A:LEU675 4.3 43.4 1.0
N A:VAL678 4.5 44.1 1.0
N A:SER677 4.5 42.0 1.0
C2 A:JXO803 4.5 45.7 1.0
O A:ASP674 4.5 42.0 1.0
O A:HOH915 4.6 43.0 1.0
CZ A:TYR524 4.7 37.2 1.0
CA A:SER677 4.7 45.1 1.0
CG A:LEU675 4.9 46.0 1.0
N A:CYS676 4.9 40.1 1.0
N A:LEU675 4.9 35.0 1.0
C A:SER677 4.9 45.4 1.0

Chlorine binding site 2 out of 4 in 5sj5

Go back to Chlorine Binding Sites List in 5sj5
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl803

b:96.3
occ:1.00
 CL11 B:JXO803 0.0 96.3 1.0
C7 B:JXO803 1.7 63.3 1.0
C10 B:JXO803 2.6 63.7 1.0
C3 B:JXO803 2.6 47.1 1.0
O B:HOH929 3.3 33.8 1.0
OG B:SER677 3.6 64.6 1.0
OH B:TYR524 3.6 35.1 1.0
CB B:SER677 3.8 54.7 1.0
C6 B:JXO803 3.8 53.4 1.0
C1 B:JXO803 3.8 45.4 1.0
O B:HOH921 3.8 40.0 1.0
O B:LEU675 4.1 36.1 1.0
CG1 B:VAL678 4.2 45.7 1.0
C2 B:JXO803 4.3 49.7 1.0
CA B:LEU675 4.3 33.2 1.0
C B:LEU675 4.4 33.1 1.0
CZ B:TYR524 4.4 44.5 1.0
CD2 B:LEU675 4.5 33.0 1.0
O B:ASP674 4.6 35.0 1.0
O B:HOH930 4.6 42.1 1.0
N B:SER677 4.6 46.0 1.0
N B:VAL678 4.6 46.0 1.0
CA B:SER677 4.6 47.3 1.0
CB B:LEU675 4.9 37.7 1.0
N4 B:JXO803 5.0 45.0 1.0
C B:SER677 5.0 55.4 1.0

Chlorine binding site 3 out of 4 in 5sj5

Go back to Chlorine Binding Sites List in 5sj5
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl803

b:85.9
occ:1.00
 CL11 C:JXO803 0.0 85.9 1.0
C7 C:JXO803 1.7 52.6 1.0
C3 C:JXO803 2.4 46.4 1.0
C10 C:JXO803 2.7 54.6 1.0
OG C:SER677 3.3 74.1 1.0
O C:HOH920 3.5 44.2 1.0
O C:HOH937 3.7 38.4 1.0
OH C:TYR524 3.7 44.4 1.0
C1 C:JXO803 3.7 44.1 1.0
C6 C:JXO803 3.9 53.5 1.0
O C:LEU675 4.1 40.9 1.0
CA C:LEU675 4.2 37.3 1.0
CG1 C:VAL678 4.2 38.5 1.0
C2 C:JXO803 4.3 46.1 1.0
C C:LEU675 4.3 37.3 1.0
CB C:SER677 4.3 55.9 1.0
O C:HOH968 4.4 41.9 1.0
CZ C:TYR524 4.4 42.2 1.0
O C:ASP674 4.4 40.9 1.0
CD2 C:LEU675 4.5 48.6 1.0
N4 C:JXO803 4.7 46.0 1.0
N C:SER677 4.8 38.6 1.0
CB C:LEU675 4.9 41.6 1.0
N C:VAL678 4.9 41.5 1.0
CE2 C:TYR524 4.9 46.7 1.0
CA C:SER677 5.0 48.5 1.0

Chlorine binding site 4 out of 4 in 5sj5

Go back to Chlorine Binding Sites List in 5sj5
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl803

b:93.6
occ:1.00
 CL11 D:JXO803 0.0 93.6 1.0
C7 D:JXO803 1.7 62.6 1.0
C3 D:JXO803 2.5 57.0 1.0
C10 D:JXO803 2.7 59.0 1.0
OG D:SER677 3.0 76.2 1.0
O D:HOH923 3.2 44.9 1.0
OH D:TYR524 3.5 43.3 1.0
C1 D:JXO803 3.9 53.2 1.0
O D:LEU675 3.9 48.5 1.0
CA D:LEU675 3.9 47.5 1.0
C6 D:JXO803 4.0 52.1 1.0
C D:LEU675 4.2 47.4 1.0
CB D:SER677 4.2 66.2 1.0
CG1 D:VAL678 4.2 56.1 1.0
O D:HOH907 4.2 42.4 1.0
C2 D:JXO803 4.4 52.2 1.0
CD2 D:LEU675 4.4 52.6 1.0
CZ D:TYR524 4.4 57.7 1.0
O D:ASP674 4.4 59.6 1.0
CB D:LEU675 4.5 53.6 1.0
N D:SER677 4.7 58.5 1.0
O D:HOH947 4.7 46.1 1.0
N D:VAL678 4.8 51.9 1.0
N4 D:JXO803 4.9 47.3 1.0
CA D:SER677 4.9 57.5 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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