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

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (3-Fluorophenyl)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- (3-Fluorophenyl)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- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One, PDB code: 5skh 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) 41.38 / 2.10
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.11, 135.11, 234.43, 90, 90, 120
R / Rfree (%) 19.4 / 23.7

Other elements in 5skh:

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

Fluorine (F) 16 atoms
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 3-[2- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One (pdb code 5skh). 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- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One, PDB code: 5skh:
Jump to Praseodymium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Praseodymium binding site 1 out of 8 in 5skh

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Praseodymium binding site 1 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (3-Fluorophenyl)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- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr803

b:105.9
occ:1.00
 O B:HOH1057 3.0 51.3 1.0
O B:HOH1014 3.0 55.1 1.0
OD2 B:ASP757 3.1 43.8 1.0
O B:HOH946 3.4 56.5 1.0
CG B:ASP757 3.5 40.8 1.0
OD1 B:ASP757 3.7 43.1 1.0
NZ B:LYS753 4.0 58.6 1.0
O B:HOH908 4.3 37.9 1.0
CB B:ASP757 4.5 38.8 1.0
CG D:GLU647 4.8 64.8 1.0
OE1 D:GLU647 5.0 83.1 1.0

Praseodymium binding site 2 out of 8 in 5skh

Go back to Praseodymium Binding Sites List in 5skh
Praseodymium binding site 2 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (3-Fluorophenyl)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- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:

Praseodymium binding site 3 out of 8 in 5skh

Go back to Praseodymium Binding Sites List in 5skh
Praseodymium binding site 3 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (3-Fluorophenyl)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- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr805

b:133.4
occ:1.00
 O B:HOH916 2.7 45.0 1.0
OE1 B:GLU606 3.4 66.4 1.0
OE2 B:GLU606 3.9 72.3 1.0
CD B:GLU606 4.0 65.2 1.0
PR B:PR807 4.6 156.0 1.0

Praseodymium binding site 4 out of 8 in 5skh

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Praseodymium binding site 4 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (3-Fluorophenyl)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- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr806

b:124.5
occ:1.00
 OE1 B:GLU620 4.0 74.5 1.0
OG B:SER617 4.2 53.2 1.0

Praseodymium binding site 5 out of 8 in 5skh

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Praseodymium binding site 5 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (3-Fluorophenyl)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- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Pr807

b:156.0
occ:1.00
 OE2 B:GLU606 4.1 72.3 1.0
CD B:GLU606 4.2 65.2 1.0
OE1 B:GLU606 4.5 66.4 1.0
PR B:PR805 4.6 133.4 1.0
CG B:GLU606 4.7 60.4 1.0

Praseodymium binding site 6 out of 8 in 5skh

Go back to Praseodymium Binding Sites List in 5skh
Praseodymium binding site 6 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (3-Fluorophenyl)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- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr803

b:95.7
occ:0.33
 O C:HOH948 2.8 38.6 1.0
O C:HOH911 2.9 45.8 1.0
OE2 C:GLU620 3.5 32.3 0.5
OE1 C:GLU620 3.9 34.5 0.5
CD C:GLU620 4.1 34.9 0.5
OE1 C:GLU620 4.2 42.4 0.5

Praseodymium binding site 7 out of 8 in 5skh

Go back to Praseodymium Binding Sites List in 5skh
Praseodymium binding site 7 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (3-Fluorophenyl)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- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr804

b:85.4
occ:0.33
 OE2 C:GLU606 3.2 91.8 1.0
CD C:GLU606 4.1 79.0 1.0
CG C:GLU606 4.4 65.9 1.0
PR C:PR805 4.7 104.4 0.3

Praseodymium binding site 8 out of 8 in 5skh

Go back to Praseodymium Binding Sites List in 5skh
Praseodymium binding site 8 out of 8 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (3-Fluorophenyl)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- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Pr805

b:104.4
occ:0.33
 OE2 C:GLU606 2.7 91.8 1.0
OE1 C:GLU606 3.2 78.9 1.0
CD C:GLU606 3.3 79.0 1.0
PR C:PR804 4.7 85.4 0.3
CG C:GLU606 4.8 65.9 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 10:29:12 2024

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