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Praseodymium in PDB 5skf: Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile, PDB code: 5skf was solved by C.Joseph, J.Benz, A.Flohr, R.M.Rodriguez-Sarmiento, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.07 / 2.10
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.05, 135.05, 234.4, 90, 90, 120
R / Rfree (%) 17.1 / 18.7

Other elements in 5skf:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 4 atoms
Fluorine (F) 8 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 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile (pdb code 5skf). 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 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile, PDB code: 5skf:
Jump to Praseodymium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Praseodymium binding site 1 out of 8 in 5skf

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Praseodymium binding site 1 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile


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 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr803

b:78.1
occ:1.00
 O B:HOH925 2.6 48.1 1.0
O B:HOH1034 2.6 50.1 1.0
OD2 B:ASP757 2.6 44.1 1.0
O B:HOH1035 2.7 54.2 1.0
CG B:ASP757 3.4 45.5 1.0
OD1 B:ASP757 3.9 47.7 1.0
NZ B:LYS753 3.9 46.5 1.0
O B:HOH920 4.3 43.5 1.0
CB B:ASP757 4.5 43.0 1.0
CG D:GLU647 4.6 55.7 1.0

Praseodymium binding site 2 out of 8 in 5skf

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Praseodymium binding site 2 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile


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 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr804

b:138.3
occ:1.00
 O B:HOH1048 3.1 53.8 1.0
O B:HOH904 3.8 54.2 1.0
OE2 B:GLU763 4.7 52.1 1.0

Praseodymium binding site 3 out of 8 in 5skf

Go back to Praseodymium Binding Sites List in 5skf
Praseodymium binding site 3 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile


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 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr805

b:108.5
occ:1.00
 OE2 B:GLU606 3.0 60.1 1.0
CD B:GLU606 3.3 55.9 1.0
OE1 B:GLU606 3.4 59.2 1.0
PR B:PR807 3.9 107.7 1.0
CG B:GLU606 4.3 50.2 1.0

Praseodymium binding site 4 out of 8 in 5skf

Go back to Praseodymium Binding Sites List in 5skf
Praseodymium binding site 4 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile


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 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr806

b:110.2
occ:1.00
 OG B:SER617 4.4 55.5 1.0
OE2 B:GLU620 4.6 48.6 1.0
OE1 B:GLU620 4.7 49.8 1.0
CD B:GLU620 4.8 50.2 1.0

Praseodymium binding site 5 out of 8 in 5skf

Go back to Praseodymium Binding Sites List in 5skf
Praseodymium binding site 5 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile


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 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr807

b:107.7
occ:1.00
 OE1 B:GLU606 2.5 59.2 1.0
O B:HOH905 2.6 43.6 1.0
O B:HOH1047 3.2 53.1 1.0
CD B:GLU606 3.5 55.9 1.0
PR B:PR805 3.9 108.5 1.0
CG B:GLU606 4.2 50.2 1.0
OE2 B:GLU606 4.4 60.1 1.0

Praseodymium binding site 6 out of 8 in 5skf

Go back to Praseodymium Binding Sites List in 5skf
Praseodymium binding site 6 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile


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 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr803

b:94.0
occ:0.33
 O C:HOH904 2.0 34.5 1.0
O C:HOH1004 2.5 36.4 1.0
OE1 C:GLU620 2.7 47.7 1.0
OE2 C:GLU620 3.3 47.3 1.0
CD C:GLU620 3.4 44.2 1.0
CG C:GLU620 4.9 45.2 1.0

Praseodymium binding site 7 out of 8 in 5skf

Go back to Praseodymium Binding Sites List in 5skf
Praseodymium binding site 7 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile


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 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr804

b:99.4
occ:0.33
 OE2 C:GLU606 3.5 60.7 1.0
PR C:PR805 4.1 92.2 0.3
CD C:GLU606 4.7 55.1 1.0

Praseodymium binding site 8 out of 8 in 5skf

Go back to Praseodymium Binding Sites List in 5skf
Praseodymium binding site 8 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile


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 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr805

b:92.2
occ:0.33
 O C:HOH945 2.3 76.3 1.0
OE2 C:GLU606 2.9 60.7 1.0
OE1 C:GLU606 3.5 58.5 1.0
CD C:GLU606 3.5 55.1 1.0
PR C:PR804 4.1 99.4 0.3
CG C:GLU606 5.0 51.4 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 10:28:58 2024

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