Chlorine in PDB 6dcu: Crystal Structure of Ppar Gamma Co-Crystallized with Ntzdpa

The structure of Crystal Structure of Ppar Gamma Co-Crystallized with Ntzdpa, PDB code: 6dcu 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)	37.93 / 2.95
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	94.085, 94.085, 192.424, 90.00, 90.00, 120.00
R / Rfree (%)	26.4 / 30.3

The binding sites of Chlorine atom in the Crystal Structure of Ppar Gamma Co-Crystallized with Ntzdpa (pdb code 6dcu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Ppar Gamma Co-Crystallized with Ntzdpa, PDB code: 6dcu:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Ppar Gamma Co-Crystallized with Ntzdpa


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 Co-Crystallized with Ntzdpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:0.1 occ:1.00 CLAC A:NZA501 0.0 0.1 1.0 CAT A:NZA501 1.8 0.1 1.0 CAK A:NZA501 2.8 0.7 1.0 CAJ A:NZA501 2.8 94.8 1.0 CAN A:NZA501 4.0 0.8 1.0 CAM A:NZA501 4.0 82.3 1.0 CB A:ALA292 4.3 92.7 1.0 O A:ARG288 4.4 0.3 1.0 CG A:ARG288 4.4 92.2 1.0 CAV A:NZA501 4.6 87.1 1.0 CB A:ILE326 4.6 73.9 1.0 CG2 A:ILE326 4.8 80.8 1.0 C A:ARG288 4.8 93.5 1.0 O A:ILE326 4.9 68.8 1.0 CE A:MET329 5.0 86.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Ppar Gamma Co-Crystallized with Ntzdpa


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 Co-Crystallized with Ntzdpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:0.5 occ:1.00 CLAD A:NZA501 0.0 0.5 1.0 CAU A:NZA501 1.8 93.1 1.0 CAL A:NZA501 2.7 73.0 1.0 O A:ILE281 2.8 81.9 1.0 CAP A:NZA501 2.8 85.1 1.0 C A:ILE281 3.2 78.9 1.0 CB A:ILE281 3.6 84.9 1.0 CA A:ILE281 3.8 73.0 1.0 CB A:CYS285 3.9 80.4 1.0 N A:PHE282 3.9 70.1 1.0 CAO A:NZA501 4.0 64.0 1.0 N A:CYS285 4.0 70.0 1.0 CAZ A:NZA501 4.1 74.8 1.0 CG1 A:ILE281 4.3 95.8 1.0 CA A:PHE282 4.3 79.2 1.0 CA A:CYS285 4.4 75.3 1.0 CBA A:NZA501 4.5 78.3 1.0 CE A:MET364 4.7 0.1 1.0 CG2 A:ILE281 4.8 85.6 1.0 CD1 A:ILE281 4.8 0.2 1.0 C A:GLY284 5.0 77.3 1.0 C A:PHE282 5.0 75.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Ppar Gamma Co-Crystallized with Ntzdpa


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 Co-Crystallized with Ntzdpa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:0.0 occ:1.00 CLAC B:NZA501 0.0 0.0 1.0 CAT B:NZA501 1.8 0.4 1.0 CAK B:NZA501 2.7 1.0 1.0 CAJ B:NZA501 2.8 0.9 1.0 CE B:MET329 3.5 0.1 1.0 CG2 B:ILE326 3.7 93.8 1.0 CAN B:NZA501 4.0 93.9 1.0 CAM B:NZA501 4.0 1.0 1.0 CB B:MET329 4.3 67.3 1.0 O B:ILE326 4.4 70.1 1.0 CB B:ILE326 4.5 73.5 1.0 CAV B:NZA501 4.6 0.3 1.0 CG1 B:ILE326 4.6 78.0 1.0 CB B:ALA292 4.6 95.4 1.0 CA B:ILE326 4.7 68.9 1.0 N B:LEU330 4.7 74.0 1.0 SD B:MET329 4.8 0.3 1.0 O B:ARG288 4.9 0.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Ppar Gamma Co-Crystallized with Ntzdpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Ppar Gamma Co-Crystallized with Ntzdpa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:0.3 occ:1.00 CLAD B:NZA501 0.0 0.3 1.0 CAU B:NZA501 1.8 99.3 1.0 CAL B:NZA501 2.7 94.0 1.0 CAP B:NZA501 2.8 87.5 1.0 CG2 B:ILE281 3.4 83.1 1.0 CE1 B:PHE363 3.7 0.4 1.0 CD1 B:PHE363 3.8 0.4 1.0 CAO B:NZA501 4.0 91.1 1.0 CAZ B:NZA501 4.1 77.2 1.0 CD1 B:LEU353 4.2 0.1 1.0 CB B:ILE281 4.4 83.2 1.0 CB B:MET364 4.5 72.7 1.0 CBA B:NZA501 4.6 86.5 1.0 N B:PHE282 4.8 79.7 1.0 C B:ILE281 4.8 75.4 1.0 CE B:MET348 4.9 0.8 1.0 O B:ILE281 4.9 76.0 1.0 CA B:PHE282 5.0 84.7 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.