Chlorine in PDB 6ms7: Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selective Ppar-Gamma Modulator Vsp-77

The structure of Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selective Ppar-Gamma Modulator Vsp-77, PDB code: 6ms7 was solved by W.Yi, H.Jiang, X.E.Zhou, J.Shi, G.Zhao, X.Zhang, Y.Sun, K.Suino-Powell, J.Li, J.Li, K.Melcher, H.E.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.56 / 1.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.620, 53.890, 66.720, 90.00, 107.24, 90.00
R / Rfree (%)	18.6 / 20.8

The binding sites of Chlorine atom in the Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selective Ppar-Gamma Modulator Vsp-77 (pdb code 6ms7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selective Ppar-Gamma Modulator Vsp-77, PDB code: 6ms7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selective Ppar-Gamma Modulator Vsp-77


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 Selective Ppar-Gamma Modulator Vsp-77 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl600 b:35.7 occ:1.00 CL A:V77600 0.0 35.7 1.0 C3 A:V77600 1.8 28.3 1.0 C5 A:V77600 2.7 27.9 1.0 C1 A:V77600 2.7 25.5 1.0 CB A:MET329 3.6 12.0 1.0 CE1 A:PHE226 3.8 15.0 1.0 CD1 A:PHE226 3.8 15.2 1.0 CG A:MET329 3.9 16.1 1.0 OE1 A:GLU295 4.0 24.4 1.0 C7 A:V77600 4.0 29.3 1.0 C2 A:V77600 4.0 26.4 1.0 CB A:ALA292 4.1 11.8 1.0 CE A:MET329 4.3 15.2 1.0 CD1 A:ILE296 4.3 12.4 1.0 CG1 A:ILE296 4.3 12.3 1.0 CA A:ALA292 4.5 11.7 1.0 C4 A:V77600 4.5 28.1 1.0 O A:ALA292 4.7 10.6 1.0 O A:HOH889 4.8 39.5 1.0 CZ A:PHE226 4.8 14.3 1.0 CG A:PHE226 4.9 12.5 1.0 O A:HOH826 4.9 28.8 1.0

Chlorine binding site 2 out of 2 in the Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selective Ppar-Gamma Modulator Vsp-77


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain in Complex with A Novel Selective Ppar-Gamma Modulator Vsp-77 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:75.4 occ:1.00 CL A:V77601 0.0 75.4 1.0 C3 A:V77601 1.8 53.9 1.0 C1 A:V77601 2.7 45.2 1.0 C5 A:V77601 2.7 42.0 1.0 NE2 A:GLN286 3.0 55.1 1.0 CD A:GLN286 3.2 31.4 1.0 O A:SER464 3.4 58.0 1.0 CE2 A:PHE282 3.5 49.2 1.0 OE1 A:GLN286 3.6 33.5 1.0 CD1 A:LEU465 3.6 36.7 1.0 CG A:GLN286 3.8 35.0 1.0 CA A:LEU465 3.9 35.9 1.0 C2 A:V77601 4.0 48.9 1.0 C A:SER464 4.0 51.0 1.0 C7 A:V77601 4.0 41.6 1.0 CD2 A:PHE282 4.1 39.5 1.0 CZ A:PHE282 4.2 42.3 1.0 CB A:LEU465 4.2 35.2 1.0 N A:LEU465 4.2 45.0 1.0 OE1 A:GLN283 4.5 61.6 1.0 C4 A:V77601 4.6 45.6 1.0 CG A:LEU465 4.6 43.5 1.0 CB A:MET463 4.6 58.3 1.0 NE2 A:GLN283 4.7 58.2 1.0 CD A:GLN283 4.9 54.2 1.0

W.Yi, H.Jiang, X.E.Zhou, J.Shi, G.Zhao, X.Zhang, Y.Sun, K.Suino-Powell, J.Li, J.Li, K.Melcher, H.E.Xu. Identification and Structural Insight of A Safe and Effective Ppar-Gamma Modulator For Anti-Diabetic Drug Discovery To Be Published.