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Praseodymium in PDB 5sio: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide

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

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide, PDB code: 5sio 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) 41.46 / 2.20
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.306, 135.306, 235.568, 90, 90, 120
R / Rfree (%) 18.4 / 23.3

Other elements in 5sio:

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

Magnesium (Mg) 4 atoms
Zinc (Zn) 4 atoms
Chlorine (Cl) 1 atom

Praseodymium Binding Sites:

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

Praseodymium binding site 1 out of 5 in 5sio

Go back to Praseodymium Binding Sites List in 5sio
Praseodymium binding site 1 out of 5 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide


Mono view


Stereo pair view

A full contact list of Praseodymium with other atoms in the Pr binding site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr803

b:110.3
occ:1.00
 O B:HOH949 3.3 41.6 1.0
OE2 B:GLU763 4.5 52.8 1.0
OE1 B:GLU763 4.9 55.1 1.0

Praseodymium binding site 2 out of 5 in 5sio

Go back to Praseodymium Binding Sites List in 5sio
Praseodymium binding site 2 out of 5 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide


Mono view


Stereo pair view

A full contact list of Praseodymium with other atoms in the Pr binding site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr804

b:167.9
occ:1.00
 OE1 B:GLU606 3.1 97.4 1.0
OE2 B:GLU606 3.7 99.3 1.0
CD B:GLU606 3.8 87.3 1.0
PR B:PR806 4.5 144.2 1.0

Praseodymium binding site 3 out of 5 in 5sio

Go back to Praseodymium Binding Sites List in 5sio
Praseodymium binding site 3 out of 5 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide


Mono view


Stereo pair view

A full contact list of Praseodymium with other atoms in the Pr binding site number 3 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr805

b:131.2
occ:1.00
 OE1 B:GLU620 3.1 82.9 1.0
CD B:GLU620 4.2 80.5 1.0
OG B:SER617 4.4 71.5 1.0
OE2 B:GLU620 4.5 80.1 1.0

Praseodymium binding site 4 out of 5 in 5sio

Go back to Praseodymium Binding Sites List in 5sio
Praseodymium binding site 4 out of 5 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide


Mono view


Stereo pair view

A full contact list of Praseodymium with other atoms in the Pr binding site number 4 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr806

b:144.2
occ:1.00
 OE2 B:GLU606 3.8 99.3 1.0
CD B:GLU606 4.0 87.3 1.0
OE1 B:GLU606 4.1 97.4 1.0
PR B:PR804 4.5 167.9 1.0
CG B:GLU606 4.7 75.6 1.0

Praseodymium binding site 5 out of 5 in 5sio

Go back to Praseodymium Binding Sites List in 5sio
Praseodymium binding site 5 out of 5 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide


Mono view


Stereo pair view

A full contact list of Praseodymium with other atoms in the Pr binding site number 5 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(2-Methylpyrrolidine-1-Carbonyl)-N-(2-Phenylimidazo[1,2- A]Pyridin-7-Yl)Pyrazole-3-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr803

b:82.5
occ:0.33
 O C:HOH941 2.6 53.8 1.0
O C:HOH1008 3.4 54.8 1.0
OE1 C:GLU620 4.5 73.1 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 Oct 10 10:27:55 2024

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