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Fluorine in PDB 4ajm: Development of A Plate-Based Optical Biosensor Methodology to Identify PDE10 Fragment Inhibitors

Enzymatic activity of Development of A Plate-Based Optical Biosensor Methodology to Identify PDE10 Fragment Inhibitors

All present enzymatic activity of Development of A Plate-Based Optical Biosensor Methodology to Identify PDE10 Fragment Inhibitors:
3.1.4.17; 3.1.4.35;

Protein crystallography data

The structure of Development of A Plate-Based Optical Biosensor Methodology to Identify PDE10 Fragment Inhibitors, PDB code: 4ajm was solved by S.Geschwindner, P.Johansson, L.Spadola, T.Akerud, E.Back, P.Hillertz, R.Horsefeld, C.Scott, N.Spear, G.Tian, A.Tigerstrom, D.Aharony, J.S.Albert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.63 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.986, 81.694, 164.764, 90.00, 90.00, 90.00
R / Rfree (%) 21.03 / 24.51

Other elements in 4ajm:

The structure of Development of A Plate-Based Optical Biosensor Methodology to Identify PDE10 Fragment Inhibitors also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Zinc (Zn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Development of A Plate-Based Optical Biosensor Methodology to Identify PDE10 Fragment Inhibitors (pdb code 4ajm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Development of A Plate-Based Optical Biosensor Methodology to Identify PDE10 Fragment Inhibitors, PDB code: 4ajm:

Fluorine binding site 1 out of 1 in 4ajm

Go back to Fluorine Binding Sites List in 4ajm
Fluorine binding site 1 out of 1 in the Development of A Plate-Based Optical Biosensor Methodology to Identify PDE10 Fragment Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Development of A Plate-Based Optical Biosensor Methodology to Identify PDE10 Fragment Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F1769

b:63.0
occ:1.00
F24 D:3A61769 0.0 63.0 1.0
C19 D:3A61769 1.4 60.2 1.0
C18 D:3A61769 2.4 55.0 1.0
C20 D:3A61769 2.4 57.2 1.0
CB D:GLU721 3.2 63.3 1.0
CB D:PRO712 3.4 63.1 1.0
O D:LYS718 3.5 64.6 1.0
CB D:LYS718 3.6 65.2 1.0
C21 D:3A61769 3.7 56.1 1.0
C17 D:3A61769 3.7 54.7 1.0
O D:PRO712 4.0 61.0 1.0
O D:GLU721 4.1 61.9 1.0
C D:PRO712 4.1 62.1 1.0
CG D:GLU721 4.1 74.9 1.0
C D:GLU721 4.2 60.9 1.0
C22 D:3A61769 4.2 53.7 1.0
CA D:GLU721 4.2 61.5 1.0
CA D:PRO712 4.2 61.4 1.0
C D:LYS718 4.3 65.4 1.0
NE2 D:GLN724 4.4 74.6 1.0
CD D:LYS718 4.4 76.1 1.0
CG D:LYS718 4.5 59.4 1.0
CA D:LYS718 4.5 65.0 1.0
OE1 D:GLU721 4.6 0.3 1.0
O D:HOH2047 4.6 52.8 1.0
N D:MET713 4.7 55.7 1.0
CG D:PRO712 4.7 67.2 1.0
N D:VAL722 4.8 52.8 1.0
N D:GLU721 4.8 61.6 1.0
CD D:GLU721 4.9 0.9 1.0
C16 D:3A61769 5.0 57.5 1.0

Reference:

S.Geschwindner, P.Johansson, L.Spadola, T.Akerud, E.Back, P.Hillertz, R.Horsefeld, C.Scott, N.Spear, G.Tian, A.Tigerstrom, D.Aharony, J.S.Albert. Development of A Plate-Based Optical Biosensor Methodology to Identify PDE10 Fragment Inhibitors To Be Published.
Page generated: Mon Jul 14 20:24:55 2025

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