Atomistry » Fluorine » PDB 5sk2-5soj » 5skq
Atomistry »
  Fluorine »
    PDB 5sk2-5soj »
      5skq »

Fluorine in PDB 5skq: Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine, PDB code: 5skq was solved by C.Joseph, J.Benz, A.Flohr, M.Brunner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.64 / 2.00
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.5, 135.5, 235.07, 90, 90, 120
R / Rfree (%) 16.9 / 23.5

Other elements in 5skq:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine also contains other interesting chemical elements:

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

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine (pdb code 5skq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine, PDB code: 5skq:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 5skq

Go back to Fluorine Binding Sites List in 5skq
Fluorine binding site 1 out of 3 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F804

b:81.8
occ:1.00
 F14 A:KIE804 0.0 81.8 1.0
C13 A:KIE804 1.4 68.0 1.0
C18 A:KIE804 2.4 61.4 1.0
C17 A:KIE804 2.5 54.1 1.0
O A:HOH1017 3.1 23.4 1.0
C16 A:KIE804 3.7 52.1 1.0
C15 A:KIE804 3.7 48.9 1.0
O A:HOH1040 3.8 31.5 1.0
O A:HOH997 4.1 24.1 1.0
C12 A:KIE804 4.2 46.2 1.0
O A:HOH910 4.3 46.0 1.0
C20 A:KIE804 4.6 55.5 1.0
O A:HOH1028 4.9 22.9 1.0
CB A:LEU635 4.9 30.6 1.0

Fluorine binding site 2 out of 3 in 5skq

Go back to Fluorine Binding Sites List in 5skq
Fluorine binding site 2 out of 3 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F803

b:69.0
occ:1.00
 F14 B:KIE803 0.0 69.0 1.0
C13 B:KIE803 1.3 44.7 1.0
C18 B:KIE803 2.3 52.2 1.0
C17 B:KIE803 2.4 42.1 1.0
O B:HOH1027 3.3 23.6 1.0
O B:HOH1079 3.5 33.8 1.0
O B:HOH1042 3.6 38.4 1.0
C15 B:KIE803 3.6 43.9 1.0
C16 B:KIE803 3.6 43.8 1.0
C12 B:KIE803 4.1 40.2 1.0
O B:HOH984 4.2 26.2 1.0
C20 B:KIE803 4.6 41.0 1.0
O B:HOH1025 4.7 21.3 1.0
O B:HOH1017 4.8 33.7 1.0
O B:HOH966 4.9 36.4 1.0
O B:HOH930 5.0 30.3 1.0

Fluorine binding site 3 out of 3 in 5skq

Go back to Fluorine Binding Sites List in 5skq
Fluorine binding site 3 out of 3 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Phosphodiesterase 10 in Complex with N- Ethyl-6-(4-Fluorophenyl)Sulfanyl-N-Methyl-9H-Purin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F803

b:68.4
occ:1.00
 F14 C:KIE803 0.0 68.4 1.0
C13 C:KIE803 1.3 50.5 1.0
C17 C:KIE803 2.2 47.7 1.0
C18 C:KIE803 2.4 53.0 1.0
O C:HOH1090 2.9 30.6 1.0
C15 C:KIE803 3.5 57.2 1.0
C16 C:KIE803 3.6 48.0 1.0
O C:HOH1015 3.9 31.5 1.0
O C:HOH974 3.9 46.0 1.0
O C:HOH945 4.0 27.6 1.0
C12 C:KIE803 4.0 46.6 1.0
O C:HOH1036 4.4 23.7 1.0
CE1 C:HIS525 4.6 27.5 1.0
NE2 C:HIS525 4.7 23.9 1.0
CE1 C:PHE696 4.7 30.3 1.0
CZ C:PHE696 4.7 32.4 1.0
C20 C:KIE803 4.8 44.8 1.0
O C:HOH1047 4.8 32.1 1.0
O C:HOH995 4.8 38.6 1.0
O C:HOH999 4.9 36.5 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: Tue Jul 15 07:27:18 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy