Atomistry » Chlorine » PDB 5sio-5spk » 5sjk
Atomistry »
  Chlorine »
    PDB 5sio-5spk »
      5sjk »

Chlorine in PDB 5sjk: Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One, PDB code: 5sjk was solved by C.Joseph, J.Benz, A.Flohr, E.Kyburz, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.38 / 2.24
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.878, 134.878, 234.027, 90, 90, 120
R / Rfree (%) 18.3 / 23.5

Other elements in 5sjk:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One 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 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One (pdb code 5sjk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One, PDB code: 5sjk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5sjk

Go back to Chlorine Binding Sites List in 5sjk
Chlorine binding site 1 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One


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 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:64.7
occ:1.00
CL10 A:K40803 0.0 64.7 1.0
C4 A:K40803 1.7 61.2 1.0
C9 A:K40803 2.7 57.5 1.0
C1 A:K40803 2.7 50.0 1.0
C6 A:K40803 3.3 49.2 1.0
C2 A:K40803 3.3 47.4 1.0
CD2 A:LEU675 3.8 36.3 1.0
O A:HOH1005 3.8 38.6 1.0
CZ A:PHE729 4.0 40.1 1.0
C13 A:K40803 4.0 61.9 1.0
CE1 A:PHE729 4.0 42.3 1.0
C3 A:K40803 4.1 49.4 1.0
CD2 A:LEU635 4.3 43.3 1.0
O A:HOH987 4.4 43.9 1.0
CD1 A:ILE692 4.5 47.3 1.0
C8 A:K40803 4.6 57.7 1.0
C5 A:K40803 4.6 48.5 1.0
C12 A:K40803 4.7 63.8 1.0
CE2 A:PHE729 4.9 36.2 1.0
N7 A:K40803 5.0 49.5 1.0

Chlorine binding site 2 out of 8 in 5sjk

Go back to Chlorine Binding Sites List in 5sjk
Chlorine binding site 2 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One


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 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:65.1
occ:1.00
CL14 A:K40803 0.0 65.1 1.0
C8 A:K40803 1.8 57.7 1.0
C3 A:K40803 2.7 49.4 1.0
C13 A:K40803 2.8 61.9 1.0
N7 A:K40803 3.2 49.5 1.0
OE1 A:GLN726 3.3 40.7 1.0
OH A:TYR693 3.3 40.0 1.0
SD A:MET713 3.5 97.9 1.0
CB A:PHE729 3.6 38.0 1.0
CG A:PHE729 3.9 38.4 1.0
C1 A:K40803 4.0 50.0 1.0
O A:GLY725 4.1 42.9 1.0
C9 A:K40803 4.1 57.5 1.0
CD1 A:PHE729 4.1 39.8 1.0
CE A:MET713 4.2 86.6 1.0
CE2 A:PHE696 4.3 36.8 1.0
CZ A:TYR693 4.3 40.0 1.0
CD A:GLN726 4.5 40.9 1.0
C5 A:K40803 4.5 48.5 1.0
CG A:MET713 4.5 82.5 1.0
C A:GLY725 4.5 44.0 1.0
C4 A:K40803 4.6 61.2 1.0
CE1 A:TYR693 4.7 36.8 1.0
CD2 A:PHE729 4.8 36.6 1.0
CA A:GLN726 4.8 40.5 1.0
N A:GLN726 4.9 39.4 1.0
C2 A:K40803 4.9 47.4 1.0
CZ A:PHE696 5.0 37.9 1.0
CA A:PHE729 5.0 37.3 1.0

Chlorine binding site 3 out of 8 in 5sjk

Go back to Chlorine Binding Sites List in 5sjk
Chlorine binding site 3 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One


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 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:68.5
occ:1.00
CL10 B:K40803 0.0 68.5 1.0
C4 B:K40803 1.8 60.5 1.0
C9 B:K40803 2.7 61.0 1.0
C1 B:K40803 2.8 53.3 1.0
C6 B:K40803 3.3 50.5 1.0
C2 B:K40803 3.4 49.4 1.0
CD2 B:LEU635 3.7 39.4 1.0
CE1 B:PHE729 3.9 38.5 1.0
C13 B:K40803 4.0 60.4 1.0
C3 B:K40803 4.1 50.9 1.0
CZ B:PHE729 4.2 34.2 1.0
CZ B:PHE696 4.5 33.7 1.0
C8 B:K40803 4.5 57.8 1.0
C5 B:K40803 4.7 50.0 1.0
CD1 B:PHE729 4.7 39.4 1.0
C12 B:K40803 4.8 50.2 1.0
CD2 B:LEU675 4.9 35.3 1.0

Chlorine binding site 4 out of 8 in 5sjk

Go back to Chlorine Binding Sites List in 5sjk
Chlorine binding site 4 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One


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 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:62.5
occ:1.00
CL14 B:K40803 0.0 62.5 1.0
C8 B:K40803 1.7 57.8 1.0
C3 B:K40803 2.6 50.9 1.0
C13 B:K40803 2.8 60.4 1.0
N7 B:K40803 3.0 49.0 1.0
SD B:MET713 3.3 98.1 1.0
OE1 B:GLN726 3.4 43.4 1.0
OH B:TYR693 3.4 40.0 1.0
O B:GLY725 3.5 39.5 1.0
CB B:PHE729 3.5 39.2 1.0
C1 B:K40803 3.9 53.3 1.0
C B:GLY725 4.0 43.2 1.0
CG B:PHE729 4.0 37.2 1.0
C9 B:K40803 4.1 61.0 1.0
C5 B:K40803 4.3 50.0 1.0
CD1 B:PHE729 4.3 39.4 1.0
N B:GLN726 4.4 43.9 1.0
CZ B:TYR693 4.5 41.1 1.0
CE B:MET713 4.5 92.5 1.0
CA B:GLN726 4.5 41.6 1.0
CG B:MET713 4.5 76.7 1.0
C4 B:K40803 4.5 60.5 1.0
CD B:GLN726 4.6 45.0 1.0
CE2 B:PHE696 4.7 35.2 1.0
CA B:PHE729 4.8 36.3 1.0
C2 B:K40803 4.8 49.4 1.0
CA B:GLY725 4.9 47.2 1.0
CD2 B:PHE729 4.9 36.8 1.0

Chlorine binding site 5 out of 8 in 5sjk

Go back to Chlorine Binding Sites List in 5sjk
Chlorine binding site 5 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl803

b:71.2
occ:1.00
CL10 C:K40803 0.0 71.2 1.0
C4 C:K40803 1.7 61.6 1.0
C9 C:K40803 2.7 61.8 1.0
C1 C:K40803 2.8 55.2 1.0
C6 C:K40803 3.3 56.2 1.0
C2 C:K40803 3.3 52.4 1.0
CE1 C:PHE729 3.8 41.3 1.0
CD2 C:LEU635 3.8 46.1 1.0
C13 C:K40803 4.0 64.7 1.0
C3 C:K40803 4.1 54.7 1.0
CZ C:PHE729 4.1 37.6 1.0
CD1 C:PHE729 4.5 34.9 1.0
C8 C:K40803 4.5 61.3 1.0
CZ C:PHE696 4.5 35.4 1.0
O C:HOH1039 4.6 46.5 1.0
C5 C:K40803 4.7 47.7 1.0
C12 C:K40803 4.8 49.1 1.0
CD2 C:LEU675 4.9 39.1 1.0
O C:HOH1019 4.9 53.6 1.0

Chlorine binding site 6 out of 8 in 5sjk

Go back to Chlorine Binding Sites List in 5sjk
Chlorine binding site 6 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl803

b:72.3
occ:1.00
CL14 C:K40803 0.0 72.3 1.0
C8 C:K40803 1.7 61.3 1.0
C3 C:K40803 2.7 54.7 1.0
C13 C:K40803 2.7 64.7 1.0
SD C:MET713 3.1 116.5 1.0
N7 C:K40803 3.2 53.6 1.0
NE2 C:GLN726 3.2 44.1 1.0
OH C:TYR693 3.3 43.8 1.0
O C:GLY725 3.4 48.5 1.0
CB C:PHE729 3.5 44.6 1.0
C C:GLY725 3.8 48.6 1.0
CG C:MET713 3.9 85.4 1.0
C9 C:K40803 4.0 61.8 1.0
C1 C:K40803 4.0 55.2 1.0
CG C:PHE729 4.1 37.5 1.0
N C:GLN726 4.4 43.5 1.0
CZ C:TYR693 4.4 46.3 1.0
CD1 C:PHE729 4.5 34.9 1.0
C4 C:K40803 4.5 61.6 1.0
CA C:GLN726 4.5 47.4 1.0
CD C:GLN726 4.5 48.3 1.0
C5 C:K40803 4.5 47.7 1.0
CA C:GLY725 4.6 58.1 1.0
CE C:MET713 4.6 109.2 1.0
CE2 C:PHE696 4.6 37.7 1.0
CA C:PHE729 4.7 41.9 1.0
N C:PHE729 4.9 46.7 1.0
C2 C:K40803 4.9 52.4 1.0
CD2 C:PHE729 4.9 38.9 1.0

Chlorine binding site 7 out of 8 in 5sjk

Go back to Chlorine Binding Sites List in 5sjk
Chlorine binding site 7 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:82.5
occ:1.00
CL10 D:K40803 0.0 82.5 1.0
C4 D:K40803 1.7 76.9 1.0
C9 D:K40803 2.7 77.9 1.0
C1 D:K40803 2.8 69.6 1.0
C2 D:K40803 3.4 66.8 1.0
C6 D:K40803 3.5 64.9 1.0
CD2 D:LEU635 3.5 60.0 1.0
C13 D:K40803 4.0 81.8 1.0
C3 D:K40803 4.1 64.9 1.0
CE1 D:PHE729 4.1 48.7 1.0
CZ D:PHE696 4.5 55.4 1.0
C8 D:K40803 4.5 73.7 1.0
CZ D:PHE729 4.7 51.4 1.0
CD1 D:PHE729 4.8 50.1 1.0
C5 D:K40803 4.8 67.4 1.0
CG D:LEU635 4.9 58.8 1.0
C12 D:K40803 4.9 62.4 1.0

Chlorine binding site 8 out of 8 in 5sjk

Go back to Chlorine Binding Sites List in 5sjk
Chlorine binding site 8 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:79.2
occ:1.00
CL14 D:K40803 0.0 79.2 1.0
C8 D:K40803 1.7 73.7 1.0
C3 D:K40803 2.7 64.9 1.0
C13 D:K40803 2.7 81.8 1.0
N7 D:K40803 3.1 59.8 1.0
OH D:TYR693 3.2 68.1 1.0
SD D:MET713 3.3 112.3 1.0
CB D:PHE729 3.5 53.1 1.0
OE1 D:GLN726 3.5 69.0 1.0
O D:GLY725 3.7 49.5 1.0
C1 D:K40803 4.0 69.6 1.0
CG D:PHE729 4.0 50.4 1.0
CG D:MET713 4.0 97.4 1.0
C9 D:K40803 4.0 77.9 1.0
C D:GLY725 4.1 56.0 1.0
CZ D:TYR693 4.3 65.6 1.0
CE D:MET713 4.3 107.9 1.0
N D:GLN726 4.4 57.1 1.0
CA D:GLN726 4.5 63.5 1.0
C5 D:K40803 4.5 67.4 1.0
CE2 D:PHE696 4.5 54.5 1.0
CD1 D:PHE729 4.5 50.1 1.0
C4 D:K40803 4.5 76.9 1.0
CD D:GLN726 4.7 66.9 1.0
CD2 D:PHE729 4.7 50.5 1.0
CE1 D:TYR693 4.8 66.7 1.0
CA D:PHE729 4.9 53.6 1.0
C2 D:K40803 4.9 66.8 1.0
CA D:GLY725 5.0 62.6 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 08:32:00 2025

Last articles

Fe in 2CJ0
Fe in 2CJ2
Fe in 2CJ1
Fe in 2CIZ
Fe in 2C42
Fe in 2C3Y
Fe in 2CIY
Fe in 2CIX
Fe in 2CIW
Fe in 2CIB
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy