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Chlorine in PDB 5sko: Crystal Structure of Human Phosphodiesterase 10 in Complex with N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide, PDB code: 5sko 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) 45.00 / 2.10
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 142.289, 142.289, 142.289, 90, 90, 90
R / Rfree (%) 19.4 / 23.1

Other elements in 5sko:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide (pdb code 5sko). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide, PDB code: 5sko:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5sko

Go back to Chlorine Binding Sites List in 5sko
Chlorine binding site 1 out of 3 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide


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- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:56.8
occ:1.00
 OD1 A:ASN484 3.2 67.9 1.0
CA A:PHE482 3.9 36.4 1.0
O A:HOH1024 3.9 49.0 1.0
N A:GLU483 4.0 34.9 1.0
CG A:ASN484 4.0 52.2 1.0
N A:ASN484 4.0 39.6 1.0
CB A:ASN484 4.1 43.8 1.0
CB A:PHE482 4.1 36.9 1.0
C A:PHE482 4.1 36.3 1.0
CD2 A:PHE482 4.2 38.3 1.0
CG A:PHE482 4.7 36.1 1.0
CA A:ASN484 4.7 42.9 1.0
CA A:GLU483 4.9 40.6 1.0
O A:PHE482 4.9 36.8 1.0
C A:GLU483 5.0 40.6 1.0

Chlorine binding site 2 out of 3 in 5sko

Go back to Chlorine Binding Sites List in 5sko
Chlorine binding site 2 out of 3 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide


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- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl804

b:59.6
occ:1.00
 NZ A:LYS507 2.8 62.6 1.0
N A:GLY607 3.6 42.1 1.0
O A:HOH958 3.8 47.5 1.0
CA A:GLY607 3.9 41.6 1.0
CB A:ASN609 4.0 40.3 1.0
N A:ASN609 4.1 43.8 1.0
CE A:LYS507 4.2 56.3 1.0
C A:GLY607 4.4 42.7 1.0
N A:HIS608 4.4 41.8 1.0
CA A:ASN609 4.6 41.6 1.0
C A:GLU606 4.8 47.1 1.0
O A:LEU605 4.9 40.9 1.0
O A:ASN609 5.0 40.6 1.0

Chlorine binding site 3 out of 3 in 5sko

Go back to Chlorine Binding Sites List in 5sko
Chlorine binding site 3 out of 3 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide


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 N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl805

b:65.5
occ:1.00
 N A:ARG521 3.5 41.4 1.0
CG A:ARG521 3.7 64.8 1.0
CA A:ARG520 4.0 37.1 1.0
CB A:ARG520 4.0 39.8 1.0
CB A:ARG521 4.2 54.7 1.0
C A:ARG520 4.3 37.6 1.0
CG A:ARG520 4.3 43.5 1.0
CA A:ARG521 4.4 46.6 1.0
CD A:ARG521 4.6 74.7 1.0
CD A:ARG520 4.9 46.6 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 08:35:22 2025

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