Chlorine in PDB 6dbh: Crystal Structure of Ppar Gamma in Complex with NMP422

The structure of Crystal Structure of Ppar Gamma in Complex with NMP422, PDB code: 6dbh was solved by T.C.Mou, I.M.Chrisman, T.S.Hughes, S.R.Sprang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.05 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.942, 62.189, 120.083, 90.00, 102.57, 90.00
R / Rfree (%)	20.5 / 26.2

The binding sites of Chlorine atom in the Crystal Structure of Ppar Gamma in Complex with NMP422 (pdb code 6dbh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Ppar Gamma in Complex with NMP422, PDB code: 6dbh:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Ppar Gamma in Complex with NMP422


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Ppar Gamma in Complex with NMP422 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:85.4 occ:1.00 OE1 A:GLU291 3.3 71.2 1.0 O A:ARG288 3.4 53.8 1.0 CD A:ARG288 3.7 50.1 1.0 CB A:ARG288 3.7 48.6 1.0 CB A:GLU291 3.9 55.4 1.0 CA A:ARG288 3.9 49.2 1.0 C A:ARG288 4.1 51.0 1.0 CG A:ARG288 4.2 51.1 1.0 CD A:GLU291 4.4 70.5 1.0 C26 A:G3S501 4.5 46.4 1.0 N A:ALA292 4.6 49.7 1.0 CG A:GLU291 4.7 60.9 1.0 C28 A:G3S501 4.7 39.5 1.0 NE A:ARG288 4.8 53.7 1.0 NH1 A:ARG288 4.8 58.4 1.0 C A:GLU291 4.9 55.4 1.0 C27 A:G3S501 5.0 44.6 1.0 CA A:GLU291 5.0 55.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Ppar Gamma in Complex with NMP422


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Ppar Gamma in Complex with NMP422 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:80.4 occ:1.00 O B:LEU228 3.1 43.5 1.0 O B:MET329 3.6 43.9 1.0 CB B:MET329 3.8 61.9 1.0 CB B:SER332 4.0 53.0 1.0 CA B:MET329 4.2 53.0 1.0 OH B:TYR222 4.2 63.9 1.0 CD2 B:LEU333 4.3 42.3 1.0 C B:MET329 4.3 47.7 1.0 C B:LEU228 4.4 48.3 1.0 OG B:SER332 4.4 56.1 1.0 CG B:MET329 4.5 68.7 1.0 CG B:LEU333 4.7 42.9 1.0 N B:LYS230 4.8 39.9 1.0 C B:THR229 4.8 44.2 1.0 CA B:THR229 4.8 48.2 1.0 SD B:MET329 4.8 78.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Ppar Gamma in Complex with NMP422


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Ppar Gamma in Complex with NMP422 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:73.2 occ:1.00 C28 B:G3S501 3.5 77.6 1.0 O B:ARG288 3.5 41.2 1.0 CD B:ARG288 3.6 72.1 1.0 CB B:ARG288 3.7 51.8 1.0 CA B:ARG288 4.1 42.7 1.0 OE1 B:GLU291 4.1 58.6 1.0 C B:ARG288 4.1 38.0 1.0 CG B:ARG288 4.2 62.2 1.0 C25 B:G3S501 4.3 70.8 1.0 CB B:GLU291 4.5 43.2 1.0 C24 B:G3S501 4.6 75.0 1.0 N B:ALA292 4.6 36.5 1.0 CB B:ALA292 4.6 33.7 1.0 C27 B:G3S501 4.6 77.1 1.0 C26 B:G3S501 4.6 71.8 1.0 NH1 B:ARG288 4.8 82.2 1.0 NE B:ARG288 4.9 77.5 1.0 CA B:ALA292 4.9 36.1 1.0

T.C.Mou, I.M.Chrisman, T.S.Hughes, S.R.Sprang. Crystal Structure of Ppar Gamma in Complex with NMP422 To Be Published.