Atomistry » Bromine » PDB 5s9u-5t6s » 5sjy
Atomistry »
  Bromine »
    PDB 5s9u-5t6s »
      5sjy »

Bromine in PDB 5sjy: Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Bromo-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- Bromo-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- Bromo-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- Bromo-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide, PDB code: 5sjy 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) 43.81 / 2.20
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 136.053, 136.053, 235.986, 90, 90, 120
R / Rfree (%) 20.2 / 26.5

Other elements in 5sjy:

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

Zinc (Zn) 4 atoms
Magnesium (Mg) 4 atoms

Bromine Binding Sites:

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

Bromine binding site 1 out of 4 in 5sjy

Go back to Bromine Binding Sites List in 5sjy
Bromine binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Bromo-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 Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Bromo-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:Br803

b:54.9
occ:1.00
 BR19 A:K9X803 0.0 54.9 1.0
C7 A:K9X803 1.8 49.4 1.0
C10 A:K9X803 2.9 45.1 1.0
C1 A:K9X803 3.0 45.0 1.0
C21 A:K9X803 3.2 49.0 1.0
N14 A:K9X803 3.3 40.6 1.0
OE1 A:GLN726 3.5 40.8 1.0
CD2 A:PHE729 3.6 40.8 1.0
C8 A:K9X803 3.6 47.7 1.0
CE2 A:PHE729 3.7 35.2 1.0
NE2 A:GLN726 3.8 54.2 1.0
O A:HOH932 3.8 39.8 1.0
N5 A:K9X803 4.0 44.8 1.0
CD A:GLN726 4.0 46.3 1.0
N3 A:K9X803 4.1 53.4 1.0
CG1 A:VAL678 4.2 38.6 1.0
CD1 A:ILE692 4.2 46.4 1.0
CG A:PHE729 4.4 41.5 1.0
C12 A:K9X803 4.5 39.5 1.0
CZ A:PHE729 4.6 39.6 1.0
O A:HOH912 4.8 47.0 1.0
O17 A:K9X803 4.9 59.5 1.0
N4 A:K9X803 4.9 38.6 1.0

Bromine binding site 2 out of 4 in 5sjy

Go back to Bromine Binding Sites List in 5sjy
Bromine binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Bromo-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 Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Bromo-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
B:Br803

b:54.9
occ:1.00
 BR19 B:K9X803 0.0 54.9 1.0
C7 B:K9X803 1.8 47.7 1.0
C1 B:K9X803 2.9 47.2 1.0
C10 B:K9X803 2.9 52.3 1.0
N14 B:K9X803 3.1 42.3 1.0
OE1 B:GLN726 3.4 52.2 1.0
C8 B:K9X803 3.4 52.6 1.0
C21 B:K9X803 3.5 39.0 1.0
NE2 B:GLN726 3.6 50.1 1.0
CD2 B:PHE729 3.7 42.8 1.0
CE2 B:PHE729 3.9 42.4 1.0
CD B:GLN726 3.9 48.2 1.0
N3 B:K9X803 4.0 48.9 1.0
N5 B:K9X803 4.0 45.5 1.0
O B:HOH920 4.2 36.8 1.0
C12 B:K9X803 4.2 41.9 1.0
CG1 B:VAL678 4.2 44.2 1.0
CG B:PHE729 4.5 41.5 1.0
O17 B:K9X803 4.5 46.0 1.0
CZ B:PHE729 4.7 48.4 1.0
CD1 B:ILE692 4.7 41.8 1.0
N4 B:K9X803 4.7 41.2 1.0
O B:HOH915 5.0 37.0 1.0

Bromine binding site 3 out of 4 in 5sjy

Go back to Bromine Binding Sites List in 5sjy
Bromine binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Bromo-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 Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Bromo-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
C:Br803

b:58.7
occ:1.00
 BR19 C:K9X803 0.0 58.7 1.0
C7 C:K9X803 1.9 41.6 1.0
C10 C:K9X803 3.0 39.7 1.0
C1 C:K9X803 3.0 42.5 1.0
N14 C:K9X803 3.1 49.1 1.0
OE1 C:GLN726 3.3 52.7 1.0
NE2 C:GLN726 3.5 56.1 1.0
C21 C:K9X803 3.5 39.3 1.0
C8 C:K9X803 3.6 47.1 1.0
CD2 C:PHE729 3.6 49.6 1.0
CE2 C:PHE729 3.8 48.1 1.0
CD C:GLN726 3.9 56.0 1.0
N5 C:K9X803 4.2 41.7 1.0
N3 C:K9X803 4.2 51.9 1.0
CD1 C:ILE692 4.2 47.9 1.0
CG1 C:VAL678 4.2 39.5 1.0
O C:HOH918 4.2 46.8 1.0
C12 C:K9X803 4.3 50.6 1.0
CG C:PHE729 4.3 45.8 1.0
O C:HOH954 4.4 50.0 1.0
CZ C:PHE729 4.6 46.3 1.0
N4 C:K9X803 4.6 57.7 1.0
O17 C:K9X803 4.8 47.4 1.0
CE1 C:TYR730 4.8 38.5 1.0
CB C:PHE729 4.9 46.0 1.0

Bromine binding site 4 out of 4 in 5sjy

Go back to Bromine Binding Sites List in 5sjy
Bromine binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Bromo-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 Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Bromo-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
D:Br803

b:66.8
occ:1.00
 BR19 D:K9X803 0.0 66.8 1.0
C7 D:K9X803 1.9 54.1 1.0
C1 D:K9X803 2.9 52.1 1.0
C10 D:K9X803 3.0 49.7 1.0
N14 D:K9X803 3.1 52.2 1.0
OE1 D:GLN726 3.4 48.7 1.0
C21 D:K9X803 3.5 44.6 1.0
C8 D:K9X803 3.5 55.2 1.0
NE2 D:GLN726 3.5 44.2 1.0
CD2 D:PHE729 3.6 48.5 1.0
CE2 D:PHE729 3.6 49.1 1.0
CD D:GLN726 3.9 49.2 1.0
N3 D:K9X803 4.1 55.3 1.0
N5 D:K9X803 4.2 46.7 1.0
CG1 D:VAL678 4.2 62.0 1.0
O D:HOH903 4.2 48.2 1.0
C12 D:K9X803 4.3 53.0 1.0
CG D:PHE729 4.5 48.8 1.0
CZ D:PHE729 4.6 51.7 1.0
CD1 D:ILE692 4.6 62.4 1.0
O17 D:K9X803 4.7 58.7 1.0
N4 D:K9X803 4.8 59.0 1.0
O D:HOH908 4.8 42.5 1.0
CE1 D:TYR730 5.0 51.2 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: Thu Jul 11 00:55:26 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy