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Zinc in PDB 5sjc: Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide, PDB code: 5sjc 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) 49.92 / 2.08
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 141.205, 141.205, 141.205, 90, 90, 90
R / Rfree (%) 17.6 / 20

Other elements in 5sjc:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Magnesium (Mg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide (pdb code 5sjc). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide, PDB code: 5sjc:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5sjc

Go back to Zinc Binding Sites List in 5sjc
Zinc binding site 1 out of 2 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:40.0
occ:1.00
 NE2 A:HIS563 2.0 35.2 1.0
O A:HOH954 2.1 33.6 1.0
NE2 A:HIS529 2.1 34.4 1.0
OD1 A:ASP674 2.2 35.5 1.0
O A:HOH1011 2.2 46.4 1.0
OD2 A:ASP564 2.2 37.4 1.0
CD2 A:HIS563 3.0 34.1 1.0
CD2 A:HIS529 3.0 34.3 1.0
CG A:ASP674 3.1 37.0 1.0
CE1 A:HIS563 3.1 35.6 1.0
CE1 A:HIS529 3.1 36.6 1.0
CG A:ASP564 3.1 36.4 1.0
OD2 A:ASP674 3.3 42.4 1.0
OD1 A:ASP564 3.6 35.5 1.0
ZN A:ZN802 3.8 33.8 0.5
MG A:MG804 3.8 41.5 0.5
O A:HOH1018 4.0 40.2 1.0
MG A:MG803 4.1 59.2 1.0
CG A:HIS563 4.1 33.7 1.0
CD2 A:HIS525 4.1 40.3 1.0
ND1 A:HIS563 4.2 33.7 1.0
ND1 A:HIS529 4.2 33.9 1.0
CG A:HIS529 4.2 35.6 1.0
CB A:ASP564 4.3 37.0 1.0
CB A:ASP674 4.4 34.9 1.0
O A:HOH1009 4.5 45.6 1.0
O A:HOH1017 4.5 56.7 1.0
NE2 A:HIS525 4.6 42.7 1.0
CG2 A:VAL533 4.6 37.0 1.0
O A:HOH944 4.7 38.6 1.0
CA A:ASP674 4.8 33.8 1.0
O A:ASP674 4.8 35.2 1.0

Zinc binding site 2 out of 2 in 5sjc

Go back to Zinc Binding Sites List in 5sjc
Zinc binding site 2 out of 2 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn802

b:33.8
occ:0.50
 MG A:MG804 0.1 41.5 0.5
O A:HOH990 2.0 34.4 1.0
O A:HOH944 2.0 38.6 1.0
O A:HOH1018 2.0 40.2 1.0
OD1 A:ASP564 2.0 35.5 1.0
O A:HOH954 2.1 33.6 1.0
O A:HOH955 2.2 39.5 1.0
CG A:ASP564 3.1 36.4 1.0
OD2 A:ASP564 3.4 37.4 1.0
ZN A:ZN801 3.8 40.0 1.0
O A:HOH1017 3.8 56.7 1.0
NE2 A:HIS595 3.9 38.0 1.0
MG A:MG803 4.0 59.2 1.0
O A:HOH960 4.1 48.2 1.0
OE2 A:GLU592 4.1 39.8 1.0
OG1 A:THR633 4.1 36.8 1.0
O A:HOH1011 4.1 46.4 1.0
CD2 A:HIS563 4.1 34.1 1.0
CD2 A:HIS595 4.2 38.6 1.0
CD2 A:HIS567 4.2 41.7 1.0
O A:HIS563 4.3 37.8 1.0
CB A:ASP564 4.4 37.0 1.0
OD2 A:ASP674 4.4 42.4 1.0
NE2 A:HIS567 4.5 42.6 1.0
NE2 A:HIS563 4.5 35.2 1.0
O A:THR633 4.5 42.7 1.0
CB A:THR633 4.6 39.0 1.0
CA A:ASP564 4.7 36.4 1.0
CD2 A:HIS525 4.8 40.3 1.0
CG A:GLU592 4.8 39.8 1.0
NE2 A:HIS525 4.9 42.7 1.0
CD A:GLU592 4.9 42.4 1.0
O A:HOH1014 4.9 44.5 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: Mon Oct 28 05:58:45 2024

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