Atomistry » Chlorine » PDB 5sdd-5sil » 5sgz
Atomistry »
  Chlorine »
    PDB 5sdd-5sil »
      5sgz »

Chlorine in PDB 5sgz: Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-One

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-One

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-One:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-One, PDB code: 5sgz was solved by C.Joseph, J.Benz, A.Flohr, K.Groebke-Zbinden, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.42 / 2.20
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.979, 134.979, 235.207, 90, 90, 120
R / Rfree (%) 18.8 / 22.3

Other elements in 5sgz:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-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 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-One (pdb code 5sgz). 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 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-One, PDB code: 5sgz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5sgz

Go back to Chlorine Binding Sites List in 5sgz
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-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 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:40.6
occ:1.00
 CL24 A:IZQ803 0.0 40.6 1.0
C23 A:IZQ803 1.7 36.1 1.0
C22 A:IZQ803 2.6 36.6 1.0
C18 A:IZQ803 2.7 35.4 1.0
C14 A:IZQ803 3.0 30.0 1.0
O A:HOH997 3.2 46.0 1.0
N13 A:IZQ803 3.4 32.6 1.0
CE1 A:PHE696 3.7 31.9 1.0
CZ A:PHE696 3.7 34.8 1.0
N3 A:IZQ803 3.7 40.3 1.0
C8 A:IZQ803 3.8 31.2 1.0
N15 A:IZQ803 3.8 33.3 1.0
CE1 A:HIS525 3.9 34.7 1.0
C21 A:IZQ803 3.9 41.2 1.0
C19 A:IZQ803 4.0 34.6 1.0
CG2 A:ILE692 4.1 35.1 1.0
CE2 A:TYR524 4.2 34.0 1.0
NE2 A:HIS525 4.2 32.3 1.0
C12 A:IZQ803 4.3 30.5 1.0
C20 A:IZQ803 4.4 39.7 1.0
O A:HOH1001 4.4 59.1 1.0
CD2 A:TYR524 4.4 35.1 1.0
C16 A:IZQ803 4.5 32.2 1.0
C2 A:IZQ803 4.7 33.8 1.0
O A:HOH953 4.7 28.2 1.0
O A:HOH1010 4.8 43.5 1.0
C6 A:IZQ803 4.9 35.3 1.0
C7 A:IZQ803 4.9 32.3 1.0
CE2 A:PHE696 4.9 35.9 1.0
CD1 A:PHE696 4.9 33.9 1.0
CG1 A:ILE692 4.9 33.8 1.0

Chlorine binding site 2 out of 4 in 5sgz

Go back to Chlorine Binding Sites List in 5sgz
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-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 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:41.8
occ:1.00
 CL24 B:IZQ803 0.0 41.8 1.0
C23 B:IZQ803 1.7 35.1 1.0
C22 B:IZQ803 2.6 41.0 1.0
C18 B:IZQ803 2.7 34.7 1.0
C14 B:IZQ803 3.0 32.0 1.0
N13 B:IZQ803 3.4 32.0 1.0
CZ B:PHE696 3.6 36.0 1.0
CE1 B:PHE696 3.6 30.8 1.0
N3 B:IZQ803 3.7 39.2 1.0
C8 B:IZQ803 3.8 31.6 1.0
N15 B:IZQ803 3.8 30.0 1.0
CE1 B:HIS525 3.9 33.2 1.0
C21 B:IZQ803 3.9 44.6 1.0
C19 B:IZQ803 4.0 39.8 1.0
CG2 B:ILE692 4.0 40.6 1.0
NE2 B:HIS525 4.2 34.5 1.0
C12 B:IZQ803 4.3 30.2 1.0
C20 B:IZQ803 4.4 50.8 1.0
CE2 B:TYR524 4.4 33.0 1.0
C16 B:IZQ803 4.5 32.0 1.0
O B:HOH954 4.6 26.7 1.0
CD2 B:TYR524 4.6 36.6 1.0
C2 B:IZQ803 4.6 33.4 1.0
C6 B:IZQ803 4.8 28.3 1.0
O B:HOH1006 4.8 50.6 1.0
CE2 B:PHE696 4.8 32.6 1.0
C7 B:IZQ803 4.8 29.1 1.0
CG1 B:ILE692 4.9 42.7 1.0
CD1 B:PHE696 4.9 34.2 1.0
O B:HOH977 5.0 34.4 1.0
CB B:ILE692 5.0 38.4 1.0

Chlorine binding site 3 out of 4 in 5sgz

Go back to Chlorine Binding Sites List in 5sgz
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-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 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-One within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl803

b:42.1
occ:1.00
 CL24 C:IZQ803 0.0 42.1 1.0
C23 C:IZQ803 1.7 39.0 1.0
C22 C:IZQ803 2.6 39.7 1.0
C18 C:IZQ803 2.7 39.0 1.0
C14 C:IZQ803 2.9 29.7 1.0
N13 C:IZQ803 3.3 31.0 1.0
O C:HOH992 3.3 46.3 1.0
CZ C:PHE696 3.6 33.9 1.0
CE1 C:PHE696 3.6 32.6 1.0
N3 C:IZQ803 3.6 35.0 1.0
N15 C:IZQ803 3.7 29.3 1.0
C8 C:IZQ803 3.7 28.4 1.0
CG2 C:ILE692 3.9 41.3 1.0
C21 C:IZQ803 3.9 50.4 1.0
C19 C:IZQ803 4.0 43.4 1.0
CE1 C:HIS525 4.0 35.0 1.0
C12 C:IZQ803 4.1 26.2 1.0
C16 C:IZQ803 4.4 26.2 1.0
NE2 C:HIS525 4.4 33.4 1.0
CE2 C:TYR524 4.4 34.5 1.0
C20 C:IZQ803 4.5 49.4 1.0
C2 C:IZQ803 4.6 36.8 1.0
CD2 C:TYR524 4.6 39.4 1.0
C7 C:IZQ803 4.6 29.1 1.0
O C:HOH952 4.7 39.8 1.0
CE2 C:PHE696 4.8 37.1 1.0
CG1 C:ILE692 4.8 43.4 1.0
CD1 C:PHE696 4.8 38.5 1.0
CB C:ILE692 4.9 40.8 1.0
O C:HOH1012 4.9 52.8 1.0
C6 C:IZQ803 4.9 33.1 1.0

Chlorine binding site 4 out of 4 in 5sgz

Go back to Chlorine Binding Sites List in 5sgz
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-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 3-(2- Chlorophenyl)-12-Methoxy-5-Methyl-2,4,8,13-Tetrazatricyclo[7.4.0.02, 6]Trideca-1(13),3,5,9,11-Pentaen-7-One within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:46.7
occ:1.00
 CL24 D:IZQ803 0.0 46.7 1.0
C23 D:IZQ803 1.7 54.8 1.0
C22 D:IZQ803 2.7 51.6 1.0
C18 D:IZQ803 2.7 51.0 1.0
C14 D:IZQ803 3.0 40.6 1.0
N13 D:IZQ803 3.5 38.8 1.0
N3 D:IZQ803 3.8 40.9 1.0
CZ D:PHE696 3.8 46.3 1.0
CE1 D:PHE696 3.8 42.8 1.0
N15 D:IZQ803 3.8 39.8 1.0
C8 D:IZQ803 3.8 36.6 1.0
CE1 D:HIS525 3.9 44.3 1.0
CG2 D:ILE692 3.9 47.4 1.0
C19 D:IZQ803 4.0 51.1 1.0
C21 D:IZQ803 4.0 50.6 1.0
CE2 D:TYR524 4.2 41.6 1.0
NE2 D:HIS525 4.3 47.5 1.0
C12 D:IZQ803 4.4 41.0 1.0
CD2 D:TYR524 4.4 43.6 1.0
C20 D:IZQ803 4.5 50.8 1.0
O D:HOH920 4.5 48.5 1.0
C16 D:IZQ803 4.6 30.8 1.0
CG1 D:ILE692 4.7 48.7 1.0
C2 D:IZQ803 4.7 44.5 1.0
C6 D:IZQ803 4.7 35.1 1.0
CB D:ILE692 4.9 48.4 1.0
C7 D:IZQ803 4.9 37.1 1.0
O D:HOH958 5.0 39.0 1.0
CE2 D:PHE696 5.0 40.2 1.0
CD1 D:PHE696 5.0 42.9 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 16:50:06 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy