Chlorine in PDB 3ads: Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin

The structure of Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin, PDB code: 3ads was solved by T.Waku, T.Shiraki, T.Oyama, K.Morikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.30 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.045, 61.031, 118.403, 90.00, 102.99, 90.00
R / Rfree (%)	22.8 / 27.7

The binding sites of Chlorine atom in the Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin (pdb code 3ads). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin, PDB code: 3ads:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:0.5 occ:1.00 CL A:IMN1 0.0 0.5 1.0 C13 A:IMN1 1.7 0.1 1.0 C12 A:IMN1 2.7 0.8 1.0 C14 A:IMN1 2.7 0.1 1.0 CG A:ARG280 3.4 64.0 1.0 OE1 A:GLU259 3.8 87.2 1.0 O A:ARG280 3.9 57.2 1.0 CB A:ARG280 4.0 60.9 1.0 C11 A:IMN1 4.0 0.4 1.0 C15 A:IMN1 4.0 0.7 1.0 NE A:ARG280 4.2 68.9 1.0 CD A:ARG280 4.2 66.0 1.0 C A:ARG280 4.4 57.8 1.0 C10 A:IMN1 4.6 0.0 1.0 CA A:ARG280 4.6 58.8 1.0 CD A:GLU259 4.7 86.2 1.0

Chlorine binding site 2 out of 3 in the Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:84.6 occ:1.00 CL A:IMN2 0.0 84.6 1.0 C13 A:IMN2 1.7 84.2 1.0 C14 A:IMN2 2.7 83.8 1.0 C12 A:IMN2 2.7 84.5 1.0 CD1 A:LEU356 3.2 49.8 1.0 CG2 A:ILE281 3.4 54.4 1.0 O A:PHE360 3.9 58.0 1.0 CB A:ILE281 3.9 55.0 1.0 CD2 A:LEU353 3.9 47.2 1.0 C15 A:IMN2 4.0 83.3 1.0 C11 A:IMN2 4.0 83.2 1.0 CB A:PHE360 4.2 57.1 1.0 O A:ALA278 4.4 62.8 1.0 C10 A:IMN2 4.6 82.5 1.0 CD1 A:ILE281 4.6 53.9 1.0 C A:PHE360 4.6 57.7 1.0 CG A:LEU356 4.6 53.3 1.0 N A:PHE282 4.8 53.3 1.0 CA A:PHE360 4.9 58.1 1.0 CG1 A:ILE281 4.9 54.7 1.0 CD2 A:PHE360 4.9 58.8 1.0 C A:ILE281 4.9 53.2 1.0 CB A:LEU356 5.0 53.9 1.0

Chlorine binding site 3 out of 3 in the Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3 b:87.7 occ:1.00 CL B:IMN3 0.0 87.7 1.0 C13 B:IMN3 1.7 88.5 1.0 C14 B:IMN3 2.7 88.6 1.0 C12 B:IMN3 2.7 88.6 1.0 CA B:GLY284 3.9 52.2 1.0 O B:ILE281 3.9 52.1 1.0 C15 B:IMN3 4.0 89.2 1.0 C11 B:IMN3 4.0 89.0 1.0 CA B:ILE281 4.2 53.3 1.0 C B:GLY284 4.3 52.0 1.0 CE B:MET348 4.4 55.8 1.0 O B:HOH1087 4.4 43.4 1.0 C B:ILE281 4.5 53.6 1.0 N B:CYS285 4.6 52.2 1.0 C10 B:IMN3 4.6 90.3 1.0 N B:GLY284 4.6 54.3 1.0 O B:ARG280 4.6 54.3 1.0 CG2 B:ILE281 4.7 49.3 1.0 O B:GLY284 4.8 50.0 1.0 CB B:ILE281 4.9 52.0 1.0 CG1 B:ILE281 5.0 50.6 1.0

T.Waku, T.Shiraki, T.Oyama, K.Maebara, R.Nakamori, K.Morikawa. The Nuclear Receptor Ppargamma Individually Responds to Serotonin- and Fatty Acid-Metabolites Embo J. V. 29 3395 2010.
ISSN: ISSN 0261-4189
PubMed: 20717101
DOI: 10.1038/EMBOJ.2010.197