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Praseodymium in PDB 5sjo: Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One, PDB code: 5sjo was solved by C.Joseph, J.Benz, A.Flohr, M.Rogers-Evans, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.45 / 2.10
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.15, 135.15, 234.92, 90, 90, 120
R / Rfree (%) 19.3 / 23.7

Other elements in 5sjo:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms
Fluorine (F) 20 atoms
Chlorine (Cl) 1 atom
Zinc (Zn) 4 atoms

Praseodymium Binding Sites:

The binding sites of Praseodymium atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One (pdb code 5sjo). 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-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One, PDB code: 5sjo:
Jump to Praseodymium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Praseodymium binding site 1 out of 8 in 5sjo

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Praseodymium binding site 1 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One


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-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr803

b:104.0
occ:1.00
 OD2 B:ASP757 3.0 45.7 1.0
O D:HOH990 3.3 57.7 1.0
O B:HOH961 3.3 58.0 1.0
CG B:ASP757 3.4 41.0 1.0
OD1 B:ASP757 3.4 41.6 1.0
NZ B:LYS753 4.2 56.5 1.0
OE1 D:GLU647 4.2 87.4 1.0
O B:HOH902 4.3 36.6 1.0
CB B:ASP757 4.5 39.5 1.0
CG D:GLU647 4.8 69.7 1.0
CD D:GLU647 5.0 80.7 1.0

Praseodymium binding site 2 out of 8 in 5sjo

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Praseodymium binding site 2 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One


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-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr804

b:165.4
occ:1.00
 O B:HOH968 4.2 46.5 1.0
OE2 B:GLU763 5.0 59.4 1.0

Praseodymium binding site 3 out of 8 in 5sjo

Go back to Praseodymium Binding Sites List in 5sjo
Praseodymium binding site 3 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One


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-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr805

b:126.1
occ:1.00
 OE1 B:GLU606 3.3 75.2 1.0
OE2 B:GLU606 3.9 77.1 1.0
CD B:GLU606 4.0 68.6 1.0
PR B:PR807 4.4 141.4 1.0

Praseodymium binding site 4 out of 8 in 5sjo

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Praseodymium binding site 4 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One


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-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr806

b:121.0
occ:1.00
 OE1 B:GLU620 3.3 78.2 1.0
OG B:SER617 4.3 66.0 1.0
CD B:GLU620 4.5 72.3 1.0

Praseodymium binding site 5 out of 8 in 5sjo

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Praseodymium binding site 5 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One


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-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr807

b:141.4
occ:1.00
 OE2 B:GLU606 3.9 77.1 1.0
CD B:GLU606 4.0 68.6 1.0
OE1 B:GLU606 4.0 75.2 1.0
PR B:PR805 4.4 126.1 1.0
CG B:GLU606 4.8 62.3 1.0

Praseodymium binding site 6 out of 8 in 5sjo

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Praseodymium binding site 6 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One


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-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr803

b:100.3
occ:0.33
 O C:HOH910 2.6 37.2 1.0
O C:HOH922 2.8 40.5 1.0
OE2 C:GLU620 3.3 35.1 0.5
OE1 C:GLU620 3.9 37.5 0.5
CD C:GLU620 4.0 38.8 0.5
OE1 C:GLU620 4.0 42.3 0.5

Praseodymium binding site 7 out of 8 in 5sjo

Go back to Praseodymium Binding Sites List in 5sjo
Praseodymium binding site 7 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One


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-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr804

b:106.9
occ:0.33
 OE2 C:GLU606 3.6 80.2 1.0
CD C:GLU606 4.2 76.1 1.0
CG C:GLU606 4.3 63.2 1.0
PR C:PR805 4.4 99.9 0.3

Praseodymium binding site 8 out of 8 in 5sjo

Go back to Praseodymium Binding Sites List in 5sjo
Praseodymium binding site 8 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One


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-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr805

b:99.9
occ:0.33
 OE2 C:GLU606 2.9 80.2 1.0
OE1 C:GLU606 3.2 75.0 1.0
CD C:GLU606 3.3 76.1 1.0
PR C:PR804 4.4 106.9 0.3
CG C:GLU606 4.7 63.2 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: Fri Apr 7 19:38:47 2023

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