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Chlorine in PDB 5skn: Crystal Structure of Human Phosphodiesterase 10 in Complex with N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide, PDB code: 5skn was solved by C.Joseph, J.Benz, A.Flohr, M.Koerner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.03 / 1.90
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.48, 135.48, 235.361, 90, 90, 120
R / Rfree (%) 19.1 / 22.2

Other elements in 5skn:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Fluorine (F) 6 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 N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide (pdb code 5skn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide, PDB code: 5skn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5skn

Go back to Chlorine Binding Sites List in 5skn
Chlorine binding site 1 out of 2 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide


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 N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:49.0
occ:1.00
 O A:HOH922 2.7 44.8 1.0
O A:HOH1078 3.1 43.1 1.0
CD A:PRO523 3.7 26.6 1.0
CG A:GLU695 3.8 23.5 1.0
O A:ARG568 4.1 30.2 1.0
CA A:GLU695 4.2 22.9 1.0
CA A:GLY569 4.2 27.2 1.0
CB A:ALA698 4.2 28.4 1.0
O A:HOH1085 4.2 47.0 1.0
CB A:GLU695 4.3 23.4 1.0
CG A:PRO523 4.3 26.4 1.0
O A:GLY569 4.3 30.6 1.0
CD A:GLU695 4.5 24.5 1.0
CG1 A:VAL522 4.5 27.7 1.0
CB A:VAL522 4.6 27.9 1.0
OE2 A:GLU695 4.7 22.4 1.0
C A:GLY569 4.7 27.6 1.0
O A:GLU695 4.9 22.1 1.0
C A:ARG568 4.9 29.6 1.0
N A:PRO523 5.0 25.9 1.0

Chlorine binding site 2 out of 2 in 5skn

Go back to Chlorine Binding Sites List in 5skn
Chlorine binding site 2 out of 2 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide


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 N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl803

b:52.3
occ:1.00
 O C:HOH989 2.7 43.0 1.0
CG C:GLU695 3.8 30.0 1.0
CD C:PRO523 3.9 27.5 1.0
CB C:ALA698 4.0 26.7 1.0
O C:ARG568 4.1 26.7 1.0
CA C:GLU695 4.2 27.3 1.0
CA C:GLY569 4.3 27.3 1.0
O C:HOH1108 4.3 35.2 1.0
CB C:GLU695 4.4 28.4 1.0
CG C:PRO523 4.5 28.6 1.0
O C:GLY569 4.5 29.4 1.0
CD C:GLU695 4.6 29.3 1.0
CG1 C:VAL522 4.6 31.8 1.0
CB C:VAL522 4.7 30.8 1.0
OE2 C:GLU695 4.7 27.9 1.0
C C:GLY569 4.7 27.9 1.0
O C:GLU695 4.8 28.6 1.0
C C:ARG568 4.9 28.6 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: Fri Jul 26 17:00:42 2024

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