Chlorine in PDB 5two: Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selectively Ppar Gamma-Modulating Ligand Vsp- 51

The structure of Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selectively Ppar Gamma-Modulating Ligand Vsp- 51, PDB code: 5two was solved by W.Yi, J.Shi, G.Zhao, X.E.Zhou, K.Suino-Powell, K.Melcher, H.E.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.67 / 1.93
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	56.893, 88.504, 122.163, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 23.7

The structure of Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selectively Ppar Gamma-Modulating Ligand Vsp- 51 also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selectively Ppar Gamma-Modulating Ligand Vsp- 51 (pdb code 5two). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selectively Ppar Gamma-Modulating Ligand Vsp- 51, PDB code: 5two:

Chlorine binding site 1 out of 1 in the Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selectively Ppar Gamma-Modulating Ligand Vsp- 51


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selectively Ppar Gamma-Modulating Ligand Vsp- 51 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:47.4 occ:1.00 CL A:7MV501 0.0 47.4 1.0 C15 A:7MV501 1.8 38.4 1.0 C23 A:7MV501 2.8 34.9 1.0 C8 A:7MV501 2.8 35.1 1.0 F A:7MV501 2.9 41.4 1.0 O A:ILE281 3.9 29.9 1.0 CG2 A:ILE281 3.9 33.4 1.0 CD1 A:ILE262 4.0 41.8 1.0 CE A:MET348 4.0 39.0 1.0 C21 A:7MV501 4.1 32.1 1.0 C22 A:7MV501 4.1 41.6 1.0 CA A:ILE281 4.3 31.6 1.0 SG A:CYS285 4.4 37.5 1.0 CA A:GLY284 4.4 32.0 1.0 N A:CYS285 4.4 26.4 1.0 CG2 A:ILE262 4.5 50.5 1.0 CG1 A:ILE262 4.5 51.4 1.0 C A:ILE281 4.5 31.1 1.0 C A:GLY284 4.5 27.9 1.0 CB A:ILE281 4.6 31.0 1.0 C20 A:7MV501 4.6 37.1 1.0 SD A:MET348 4.6 36.7 1.0 CG1 A:ILE281 4.9 36.9 1.0 CD1 A:ILE341 4.9 37.3 1.0 CG2 A:ILE341 5.0 28.5 1.0

W.Yi, J.Shi, G.Zhao, X.E.Zhou, K.Suino-Powell, K.Melcher, H.E.Xu. Identification of A Novel Selective Ppar Gamma Ligand with A Unique Binding Mode and Improved Therapeutic Profile in Vitro. Sci Rep V. 7 41487 2017.
ISSN: ESSN 2045-2322
PubMed: 28128331
DOI: 10.1038/SREP41487