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Chlorine in PDB 5sgg: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole, PDB code: 5sgg was solved by C.Joseph, J.Benz, A.Flohr, A.Krasso, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.66 / 2.09
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.219, 135.219, 235.292, 90, 90, 120
R / Rfree (%) 18.8 / 23.1

Other elements in 5sgg:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole 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-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole (pdb code 5sgg). 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-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole, PDB code: 5sgg:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5sgg

Go back to Chlorine Binding Sites List in 5sgg
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole


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-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:62.9
occ:1.00
 CL22 A:IX2803 0.0 62.9 1.0
C18 A:IX2803 1.7 51.2 1.0
C21 A:IX2803 2.7 46.9 1.0
C16 A:IX2803 2.7 51.1 1.0
C23 A:IX2803 3.0 47.0 1.0
C19 A:IX2803 3.0 49.8 1.0
CD2 A:LEU675 3.7 26.9 1.0
CZ A:PHE729 3.7 30.4 1.0
C20 A:IX2803 3.9 48.8 1.0
C15 A:IX2803 4.0 51.7 1.0
CE1 A:PHE729 4.1 30.6 1.0
O A:HOH958 4.1 34.6 1.0
N17 A:IX2803 4.5 55.2 1.0
CE2 A:PHE729 4.5 30.2 1.0

Chlorine binding site 2 out of 4 in 5sgg

Go back to Chlorine Binding Sites List in 5sgg
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole


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-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:64.6
occ:1.00
 CL22 B:IX2803 0.0 64.6 1.0
C18 B:IX2803 1.7 53.7 1.0
C16 B:IX2803 2.6 52.9 1.0
C21 B:IX2803 2.7 53.0 1.0
C19 B:IX2803 2.9 51.0 1.0
C23 B:IX2803 3.0 51.2 1.0
CD2 B:LEU675 3.6 28.4 1.0
CZ B:PHE729 3.7 27.6 1.0
C15 B:IX2803 3.9 54.5 1.0
C20 B:IX2803 4.0 51.1 1.0
CE1 B:PHE729 4.2 28.1 1.0
O B:HOH1007 4.2 29.4 1.0
CE2 B:PHE729 4.4 26.5 1.0
N17 B:IX2803 4.4 57.4 1.0
CZ B:PHE696 5.0 34.4 1.0

Chlorine binding site 3 out of 4 in 5sgg

Go back to Chlorine Binding Sites List in 5sgg
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole


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-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl803

b:71.7
occ:1.00
 CL22 C:IX2803 0.0 71.7 1.0
C18 C:IX2803 1.7 57.2 1.0
C16 C:IX2803 2.7 57.4 1.0
C21 C:IX2803 2.7 53.7 1.0
C19 C:IX2803 3.0 54.5 1.0
C23 C:IX2803 3.0 49.3 1.0
CD2 C:LEU675 3.6 32.9 1.0
CZ C:PHE729 3.8 30.6 1.0
C20 C:IX2803 4.0 52.4 1.0
C15 C:IX2803 4.0 59.1 1.0
O C:HOH1024 4.0 35.3 1.0
CE1 C:PHE729 4.2 33.1 1.0
N17 C:IX2803 4.5 57.3 1.0
CE2 C:PHE729 4.5 32.9 1.0
CZ C:PHE696 4.9 37.5 1.0

Chlorine binding site 4 out of 4 in 5sgg

Go back to Chlorine Binding Sites List in 5sgg
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole


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-[(4- Chloro-3,5-Dimethylpyridin-2-Yl)Methylsulfanyl]-6,7-Dihydro-3H- Furo[3,2-F]Benzimidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:72.9
occ:1.00
 CL22 D:IX2803 0.0 72.9 1.0
C18 D:IX2803 1.7 63.1 1.0
C21 D:IX2803 2.7 57.7 1.0
C16 D:IX2803 2.7 60.8 1.0
C23 D:IX2803 3.0 54.2 1.0
C19 D:IX2803 3.0 56.5 1.0
CD2 D:LEU675 3.5 41.7 1.0
CZ D:PHE729 3.8 38.9 1.0
C20 D:IX2803 3.9 58.0 1.0
C15 D:IX2803 4.0 65.6 1.0
O D:HOH933 4.1 43.3 1.0
CE1 D:PHE729 4.3 38.6 1.0
CE2 D:PHE729 4.4 37.2 1.0
N17 D:IX2803 4.5 65.0 1.0
CG D:LEU675 4.9 41.8 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 08:26:27 2025

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