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Praseodymium in PDB 5sh8: Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-Carboxamide

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-Carboxamide

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-Carboxamide:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-Carboxamide, PDB code: 5sh8 was solved by C.Joseph, J.Benz, A.Flohr, E.Vieira, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.54 / 2.00
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.51, 135.51, 235.29, 90, 90, 120
R / Rfree (%) 16 / 18.6

Other elements in 5sh8:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-Carboxamide also contains other interesting chemical elements:

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

Praseodymium Binding Sites:

The binding sites of Praseodymium atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-Carboxamide (pdb code 5sh8). This binding sites where shown within 5.0 Angstroms radius around Praseodymium atom.
In total 3 binding sites of Praseodymium where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-Carboxamide, PDB code: 5sh8:
Jump to Praseodymium binding site number: 1; 2; 3;

Praseodymium binding site 1 out of 3 in 5sh8

Go back to Praseodymium Binding Sites List in 5sh8
Praseodymium binding site 1 out of 3 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-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 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr804

b:59.0
occ:1.00
 O B:HOH902 2.1 31.5 1.0
OD2 B:ASP757 2.7 45.0 1.0
O D:HOH998 2.7 47.1 1.0
CG B:ASP757 3.4 49.1 1.0
NZ B:LYS753 3.6 45.8 1.0
OD1 B:ASP757 3.7 38.9 1.0
O D:HOH940 4.0 46.2 1.0
CB B:ASP757 4.5 39.6 1.0
O B:HOH1023 4.5 47.6 1.0
O D:HOH973 4.7 60.2 1.0
CE B:LYS753 4.8 34.2 1.0
OE2 D:GLU647 4.9 78.9 1.0
CD D:GLU647 4.9 63.5 1.0
CG D:GLU647 5.0 65.8 1.0
CB D:GLU647 5.0 58.9 1.0

Praseodymium binding site 2 out of 3 in 5sh8

Go back to Praseodymium Binding Sites List in 5sh8
Praseodymium binding site 2 out of 3 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-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 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr804

b:104.8
occ:0.33
 O C:HOH902 2.0 33.9 1.0
O C:HOH1057 2.2 56.8 0.3
O C:HOH1022 2.6 39.4 1.0
OE1 C:GLU620 3.5 57.5 1.0
CD C:GLU620 4.7 63.2 1.0
OG C:SER617 4.8 63.6 1.0

Praseodymium binding site 3 out of 3 in 5sh8

Go back to Praseodymium Binding Sites List in 5sh8
Praseodymium binding site 3 out of 3 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-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 6- Methyl-N-(5-Methyl-2-Phenylpyrazol-3-Yl)-3-(Pyrimidin-5-Ylamino) Pyridine-2-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Pr804

b:91.2
occ:1.00
 O D:HOH947 2.2 36.6 1.0
OE1 D:GLU620 3.8 54.7 1.0
OG D:SER617 3.9 55.9 1.0
CD D:GLU620 4.8 64.6 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: Thu Oct 10 10:27:46 2024

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