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Chlorine in PDB 5sg4: Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-N- [2-(3-Chlorophenyl)-1H-Benzimidazol-5-Yl]-2-Methylpyrazole-3,4- Dicarboxamide

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-N- [2-(3-Chlorophenyl)-1H-Benzimidazol-5-Yl]-2-Methylpyrazole-3,4- Dicarboxamide

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-N- [2-(3-Chlorophenyl)-1H-Benzimidazol-5-Yl]-2-Methylpyrazole-3,4- Dicarboxamide:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-N- [2-(3-Chlorophenyl)-1H-Benzimidazol-5-Yl]-2-Methylpyrazole-3,4- Dicarboxamide, PDB code: 5sg4 was solved by C.Joseph, J.Benz, A.Flohr, J.Peters, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.85 / 2.30
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 141.516, 141.516, 141.516, 90, 90, 90
R / Rfree (%) 17 / 22.2

Other elements in 5sg4:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-N- [2-(3-Chlorophenyl)-1H-Benzimidazol-5-Yl]-2-Methylpyrazole-3,4- Dicarboxamide also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-N- [2-(3-Chlorophenyl)-1H-Benzimidazol-5-Yl]-2-Methylpyrazole-3,4- Dicarboxamide (pdb code 5sg4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-N- [2-(3-Chlorophenyl)-1H-Benzimidazol-5-Yl]-2-Methylpyrazole-3,4- Dicarboxamide, PDB code: 5sg4:

Chlorine binding site 1 out of 1 in 5sg4

Go back to Chlorine Binding Sites List in 5sg4
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-N- [2-(3-Chlorophenyl)-1H-Benzimidazol-5-Yl]-2-Methylpyrazole-3,4- Dicarboxamide


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-N- [2-(3-Chlorophenyl)-1H-Benzimidazol-5-Yl]-2-Methylpyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:98.3
occ:1.00
 CL25 A:IVJ803 0.0 98.3 1.0
C23 A:IVJ803 1.7 54.8 1.0
C20 A:IVJ803 2.7 46.4 1.0
C28 A:IVJ803 2.7 51.9 1.0
O A:LYS718 3.0 40.0 1.0
O A:HOH954 3.1 36.6 1.0
C A:GLU721 3.6 44.4 1.0
CB A:GLU721 3.7 41.6 1.0
O A:GLU721 3.7 38.5 1.0
N A:VAL722 3.8 43.0 1.0
CB A:LYS718 3.9 46.0 1.0
O A:PRO712 3.9 39.9 1.0
C A:LYS718 3.9 42.7 1.0
C27 A:IVJ803 4.0 63.3 1.0
C18 A:IVJ803 4.0 50.9 1.0
CA A:VAL722 4.1 44.6 1.0
CA A:GLU721 4.1 44.5 1.0
CG2 A:VAL722 4.2 45.7 1.0
C26 A:IVJ803 4.5 61.6 1.0
C A:PRO712 4.5 40.9 1.0
CA A:LYS718 4.5 44.1 1.0
N A:GLU721 4.5 42.0 1.0
CA A:MET713 4.6 45.0 1.0
CG A:GLU721 4.8 45.7 1.0
CB A:VAL722 4.8 43.2 1.0
CD A:GLU721 4.8 49.8 1.0
N A:LYS719 4.8 40.3 1.0
N A:MET713 4.9 40.8 1.0
OE1 A:GLU721 4.9 56.6 1.0
CB A:PRO712 5.0 45.0 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 16:47:58 2024

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