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Praseodymium in PDB 5sjt: Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide

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

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

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide, PDB code: 5sjt 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) 38.87 / 2.10
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.64, 134.64, 235, 90, 90, 120
R / Rfree (%) 16 / 17.9

Other elements in 5sjt:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide 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 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide (pdb code 5sjt). This binding sites where shown within 5.0 Angstroms radius around Praseodymium atom.
In total 8 binding sites of Praseodymium where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide, PDB code: 5sjt:
Jump to Praseodymium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Praseodymium binding site 1 out of 8 in 5sjt

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Praseodymium binding site 1 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


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 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr803

b:56.2
occ:1.00
 O B:HOH901 2.0 33.4 1.0
O B:HOH1069 2.5 36.5 1.0
O B:HOH1055 2.9 39.9 1.0
OD2 B:ASP757 3.0 47.2 1.0
O D:HOH1010 3.0 61.9 1.0
CG B:ASP757 3.3 36.5 1.0
OD1 B:ASP757 3.4 43.9 1.0
NZ B:LYS753 4.1 46.1 1.0
O B:HOH906 4.3 43.4 1.0
CB B:ASP757 4.5 35.8 1.0
CG D:GLU647 4.9 63.8 1.0
OE1 D:GLU647 4.9 65.8 1.0

Praseodymium binding site 2 out of 8 in 5sjt

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Praseodymium binding site 2 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


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 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr804

b:62.9
occ:1.00
 O B:HOH1075 2.7 46.4 1.0
O B:HOH943 2.9 40.6 1.0
O B:HOH1034 3.2 46.1 1.0
O B:HOH940 3.8 46.7 1.0
OE2 B:GLU763 4.4 41.6 1.0
OE1 B:GLU763 4.8 43.7 1.0

Praseodymium binding site 3 out of 8 in 5sjt

Go back to Praseodymium Binding Sites List in 5sjt
Praseodymium binding site 3 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


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 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr805

b:71.8
occ:1.00
 O B:HOH903 2.4 37.7 1.0
OE2 B:GLU606 2.5 45.4 1.0
OE1 B:GLU606 3.1 54.8 1.0
CD B:GLU606 3.1 48.3 1.0
PR B:PR807 3.8 76.8 1.0
O B:HOH967 4.6 50.4 1.0
CG B:GLU606 4.6 46.7 1.0

Praseodymium binding site 4 out of 8 in 5sjt

Go back to Praseodymium Binding Sites List in 5sjt
Praseodymium binding site 4 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


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 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr806

b:74.2
occ:1.00
 O B:HOH1068 2.3 32.5 1.0
OE1 B:GLU620 3.3 51.4 1.0
OG B:SER617 3.4 49.9 1.0
CD B:GLU620 4.5 54.5 1.0
CB B:SER617 4.6 48.7 1.0
CA B:SER617 4.8 45.5 1.0

Praseodymium binding site 5 out of 8 in 5sjt

Go back to Praseodymium Binding Sites List in 5sjt
Praseodymium binding site 5 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


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 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr807

b:76.8
occ:1.00
 O B:HOH1035 2.5 36.0 1.0
OE1 B:GLU606 2.8 54.8 1.0
CD B:GLU606 3.5 48.3 1.0
PR B:PR805 3.8 71.8 1.0
OE2 B:GLU606 4.0 45.4 1.0
CG B:GLU606 4.4 46.7 1.0
O B:HOH903 4.7 37.7 1.0

Praseodymium binding site 6 out of 8 in 5sjt

Go back to Praseodymium Binding Sites List in 5sjt
Praseodymium binding site 6 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


Mono view


Stereo pair view

A full contact list of Praseodymium with other atoms in the Pr binding site number 6 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr803

b:104.5
occ:0.33
 O C:HOH904 2.2 32.1 1.0
O C:HOH1009 2.4 33.8 1.0
OE2 C:GLU620 3.3 35.5 0.5
OE1 C:GLU620 3.5 41.8 0.5
CD C:GLU620 3.8 36.6 0.5
OE1 C:GLU620 3.9 48.0 0.5
CD C:GLU620 4.9 42.7 0.5
OG C:SER617 5.0 52.7 1.0

Praseodymium binding site 7 out of 8 in 5sjt

Go back to Praseodymium Binding Sites List in 5sjt
Praseodymium binding site 7 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


Mono view


Stereo pair view

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

b:103.6
occ:0.33
 PR C:PR805 4.0 115.3 0.3
OE2 C:GLU606 4.4 59.0 1.0

Praseodymium binding site 8 out of 8 in 5sjt

Go back to Praseodymium Binding Sites List in 5sjt
Praseodymium binding site 8 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide


Mono view


Stereo pair view

A full contact list of Praseodymium with other atoms in the Pr binding site number 8 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr805

b:115.3
occ:0.33
 O C:HOH970 2.5 48.5 1.0
OE2 C:GLU606 2.9 59.0 1.0
CD C:GLU606 3.8 51.8 1.0
PR C:PR804 4.0 103.6 0.3
OE1 C:GLU606 4.1 50.9 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 10:28:18 2024

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