Fluorine in PDB 8dk4: Peroxisome Proliferator-Activated Receptor Gamma in Complex with Vsp- 51-2

The structure of Peroxisome Proliferator-Activated Receptor Gamma in Complex with Vsp- 51-2, PDB code: 8dk4 was solved by L.Ma, X.E.Zhou, K.Suino-Powell, N.Hou, Z.Zhou, J.Luo, H.E.Xu, W.Yi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.18 / 2.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	56.2, 88.15, 122.23, 90, 90, 90
R / Rfree (%)	22.9 / 25.5

The structure of Peroxisome Proliferator-Activated Receptor Gamma in Complex with Vsp- 51-2 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Peroxisome Proliferator-Activated Receptor Gamma in Complex with Vsp- 51-2 (pdb code 8dk4). 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 Peroxisome Proliferator-Activated Receptor Gamma in Complex with Vsp- 51-2, PDB code: 8dk4:

Fluorine binding site 1 out of 1 in the Peroxisome Proliferator-Activated Receptor Gamma in Complex with Vsp- 51-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Peroxisome Proliferator-Activated Receptor Gamma in Complex with Vsp- 51-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:67.3 occ:1.00 F A:SJ9501 0.0 67.3 1.0 C23 A:SJ9501 1.3 63.6 1.0 C15 A:SJ9501 2.3 68.4 1.0 C21 A:SJ9501 2.3 63.4 1.0 CL A:SJ9501 2.8 72.2 1.0 C A:GLY284 3.3 70.0 1.0 O A:GLY284 3.4 66.5 1.0 C20 A:SJ9501 3.6 59.4 1.0 C8 A:SJ9501 3.6 63.5 1.0 N A:CYS285 3.6 69.0 1.0 CA A:GLY284 3.8 70.9 1.0 CA A:CYS285 4.0 64.3 1.0 C22 A:SJ9501 4.0 56.4 1.0 SG A:CYS285 4.3 64.4 1.0 O A:ILE281 4.8 67.2 1.0 CG2 A:ILE341 4.8 61.1 1.0 CB A:CYS285 4.8 64.3 1.0 C19 A:SJ9501 4.9 62.1 1.0 CB A:ILE341 4.9 67.5 1.0 CG2 A:ILE262 4.9 85.2 1.0 CB A:ARG288 4.9 54.1 1.0 O3 A:SJ9501 5.0 61.2 1.0 N A:GLY284 5.0 72.9 1.0

L.Ma, X.E.Zhou, K.Suino-Powell, N.Hou, Z.Zhou, J.Luo, H.E.Xu, W.Yi. Identification of Vsp-51-2 As the Novel and Safe Ppar Gamma Modulator: Structure-Based Design, Biological Validation and Crystal Analysis To Be Published.