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Chlorine in PDB 5sgb: Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole, PDB code: 5sgb was solved by C.Joseph, J.Benz, A.Flohr, M.Brunner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.49 / 2.39
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.099, 135.099, 234.258, 90, 90, 120
R / Rfree (%) 17.9 / 24.2

Other elements in 5sgb:

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

Chlorine binding site 1 out of 4 in 5sgb

Go back to Chlorine Binding Sites List in 5sgb
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole


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 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:79.1
occ:1.00
 CL13 A:IWG803 0.0 79.1 1.0
C10 A:IWG803 1.7 56.4 1.0
C9 A:IWG803 2.6 52.9 1.0
C15 A:IWG803 2.7 48.5 1.0
C12 A:IWG803 2.8 52.2 1.0
O A:HOH910 3.3 27.8 1.0
OE1 A:GLN726 3.4 42.0 1.0
O A:HOH950 3.5 41.2 1.0
CG1 A:VAL678 3.7 30.7 1.0
CD1 A:ILE692 3.8 37.0 1.0
C7 A:IWG803 3.9 56.1 1.0
NE2 A:GLN726 4.0 51.7 1.0
C17 A:IWG803 4.0 46.0 1.0
C11 A:IWG803 4.1 55.1 1.0
CD A:GLN726 4.2 42.8 1.0
CD2 A:PHE729 4.4 34.8 1.0
CE2 A:PHE729 4.4 34.5 1.0
C6 A:IWG803 4.5 60.2 1.0
OG A:SER677 4.6 40.8 1.0
CE1 A:TYR730 4.8 40.2 1.0
C14 A:IWG803 5.0 54.7 1.0
C16 A:IWG803 5.0 51.9 1.0

Chlorine binding site 2 out of 4 in 5sgb

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


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 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:70.3
occ:1.00
 CL13 B:IWG803 0.0 70.3 1.0
C10 B:IWG803 1.7 62.2 1.0
C9 B:IWG803 2.6 56.8 1.0
C15 B:IWG803 2.7 51.0 1.0
C12 B:IWG803 2.8 58.3 1.0
OE1 B:GLN726 3.3 47.8 1.0
NE2 B:GLN726 3.3 49.5 1.0
O B:HOH912 3.5 28.9 1.0
CD B:GLN726 3.7 48.2 1.0
C7 B:IWG803 3.9 57.8 1.0
CD1 B:ILE692 3.9 41.8 1.0
CG1 B:VAL678 4.0 38.6 1.0
O B:HOH936 4.0 40.4 1.0
C11 B:IWG803 4.0 60.0 1.0
C17 B:IWG803 4.1 51.9 1.0
CD2 B:PHE729 4.3 31.2 1.0
C6 B:IWG803 4.5 63.7 1.0
CE2 B:PHE729 4.5 32.8 1.0
CE1 B:TYR730 4.8 40.1 1.0
OG B:SER677 4.9 41.7 1.0
C14 B:IWG803 5.0 64.6 1.0
C16 B:IWG803 5.0 61.0 1.0

Chlorine binding site 3 out of 4 in 5sgb

Go back to Chlorine Binding Sites List in 5sgb
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole


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 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl803

b:78.1
occ:1.00
 CL13 C:IWG803 0.0 78.1 1.0
C10 C:IWG803 1.7 58.0 1.0
C9 C:IWG803 2.7 56.7 1.0
C12 C:IWG803 2.8 50.6 1.0
C15 C:IWG803 2.9 53.0 1.0
O C:HOH988 3.4 47.2 1.0
O C:HOH933 3.5 33.5 1.0
OE1 C:GLN726 3.6 56.1 1.0
CG1 C:VAL678 3.6 43.5 1.0
CD1 C:ILE692 3.7 44.0 1.0
NE2 C:GLN726 4.0 61.8 1.0
C7 C:IWG803 4.0 52.5 1.0
C11 C:IWG803 4.0 48.9 1.0
CD C:GLN726 4.2 55.6 1.0
C17 C:IWG803 4.2 55.0 1.0
OG C:SER677 4.3 55.1 1.0
CE2 C:PHE729 4.5 37.2 1.0
C6 C:IWG803 4.5 54.9 1.0
CD2 C:PHE729 4.5 39.7 1.0
CE1 C:TYR730 4.9 32.7 1.0

Chlorine binding site 4 out of 4 in 5sgb

Go back to Chlorine Binding Sites List in 5sgb
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole


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 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:95.8
occ:1.00
 CL13 D:IWG803 0.0 95.8 1.0
C10 D:IWG803 1.8 82.8 1.0
C9 D:IWG803 2.7 78.6 1.0
C12 D:IWG803 2.8 72.9 1.0
C15 D:IWG803 2.9 74.4 1.0
OE1 D:GLN726 3.3 52.4 1.0
O D:HOH950 3.5 50.9 1.0
NE2 D:GLN726 3.6 65.2 1.0
CG1 D:VAL678 3.8 54.5 1.0
CD D:GLN726 3.9 58.4 1.0
CD1 D:ILE692 3.9 48.5 1.0
C7 D:IWG803 4.0 75.9 1.0
C11 D:IWG803 4.1 73.6 1.0
C17 D:IWG803 4.2 67.3 1.0
OG D:SER677 4.4 53.4 1.0
CD2 D:PHE729 4.5 55.8 1.0
C6 D:IWG803 4.5 77.1 1.0
CE2 D:PHE729 4.7 54.4 1.0
CE1 D:TYR730 4.8 52.5 1.0
CG2 D:ILE692 5.0 51.2 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: Sat Jul 12 08:26:21 2025

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