Chlorine in PDB 5y7x: Human Peroxisome Proliferator-Activated Receptor (Ppar) Delta in Complexed with A Potent and Selective Agonist

The structure of Human Peroxisome Proliferator-Activated Receptor (Ppar) Delta in Complexed with A Potent and Selective Agonist, PDB code: 5y7x was solved by H.L.Kim, J.W.Chin, S.J.Cho, J.Y.Song, H.S.Yoon, J.H.Bae, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.66 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.766, 93.896, 96.871, 90.00, 97.40, 90.00
R / Rfree (%)	20.5 / 23.1

The structure of Human Peroxisome Proliferator-Activated Receptor (Ppar) Delta in Complexed with A Potent and Selective Agonist also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Potassium	(K)	1 atom

The binding sites of Chlorine atom in the Human Peroxisome Proliferator-Activated Receptor (Ppar) Delta in Complexed with A Potent and Selective Agonist (pdb code 5y7x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Peroxisome Proliferator-Activated Receptor (Ppar) Delta in Complexed with A Potent and Selective Agonist, PDB code: 5y7x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Peroxisome Proliferator-Activated Receptor (Ppar) Delta in Complexed with A Potent and Selective Agonist


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Peroxisome Proliferator-Activated Receptor (Ppar) Delta in Complexed with A Potent and Selective Agonist within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:64.4 occ:1.00 O A:HOH654 4.1 24.2 1.0 O A:ILE436 4.2 35.4 1.0 O A:HOH626 4.2 36.7 1.0 CD1 A:TYR437 4.4 31.4 1.0 CG2 A:ILE436 4.5 28.0 1.0 CE1 A:TYR437 4.5 34.3 1.0 CG1 A:VAL410 4.7 25.1 1.0 O A:LYS283 4.7 25.4 1.0 CD1 A:TYR284 4.8 34.4 1.0 C A:ILE436 5.0 33.1 1.0

Chlorine binding site 2 out of 2 in the Human Peroxisome Proliferator-Activated Receptor (Ppar) Delta in Complexed with A Potent and Selective Agonist


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Peroxisome Proliferator-Activated Receptor (Ppar) Delta in Complexed with A Potent and Selective Agonist within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:43.1 occ:1.00 O B:HOH667 3.0 44.2 1.0 O B:HOH643 3.2 41.2 1.0 ND2 B:ASN339 3.3 31.3 1.0 CB B:ASN339 3.7 32.6 1.0 CA B:ASN299 3.9 36.5 1.0 CG B:ASN339 4.0 34.2 1.0 CA B:VAL336 4.1 36.5 1.0 CG2 B:VAL336 4.1 36.5 1.0 O B:VAL298 4.1 41.1 1.0 N B:LYS300 4.2 34.4 1.0 C B:ASN299 4.3 34.5 1.0 CG1 B:VAL336 4.3 38.9 1.0 CB B:VAL336 4.4 39.0 1.0 O B:HOH681 4.5 45.5 1.0 CB B:ASN299 4.5 38.4 1.0 O B:VAL336 4.6 37.8 1.0 NH1 B:ARG198 4.6 50.2 1.0 O B:ALA335 4.8 35.2 1.0 C B:VAL298 4.8 38.6 1.0 C B:VAL336 4.8 37.2 1.0 N B:ASN299 4.9 36.0 1.0 N B:VAL336 5.0 36.4 1.0

J.W.Chin, S.J.Cho. Design, Synthesis, and the X-Ray Co-Crystal Structure of Highly Potent, Selective, and Orally Bioavailable, Novel Peroxisome Proliferator-Activated Receptor Delta Agonists To Be Published.