Chlorine in PDB 3adx: Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin and Nitro-233

The structure of Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin and Nitro-233, PDB code: 3adx 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)	27.70 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.051, 61.742, 118.480, 90.00, 102.85, 90.00
R / Rfree (%)	24.6 / 27.5

The binding sites of Chlorine atom in the Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin and Nitro-233 (pdb code 3adx). 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 Ppargamma Ligand-Binding Domain in Complex with Indomethacin and Nitro-233, PDB code: 3adx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin and Nitro-233


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 and Nitro-233 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:62.9 occ:1.00 CL A:IMN2 0.0 62.9 1.0 C13 A:IMN2 1.7 64.5 1.0 C14 A:IMN2 2.7 63.2 1.0 C12 A:IMN2 2.7 64.8 1.0 CD1 A:LEU356 3.2 51.1 1.0 CG2 A:ILE281 3.5 51.2 1.0 CD2 A:LEU353 3.7 41.8 1.0 O A:PHE360 3.9 56.0 1.0 C15 A:IMN2 4.0 63.3 1.0 C11 A:IMN2 4.0 64.1 1.0 CB A:ILE281 4.0 51.5 1.0 CD1 A:ILE281 4.4 52.3 1.0 CB A:PHE360 4.4 56.3 1.0 CG A:LEU356 4.6 52.4 1.0 C10 A:IMN2 4.6 62.6 1.0 C A:PHE360 4.6 55.8 1.0 O A:ALA278 4.7 62.8 1.0 CG A:MET364 4.8 46.9 1.0 CG1 A:ILE281 4.8 52.2 1.0 O A:LEU353 4.9 50.2 1.0 CA A:PHE360 4.9 56.4 1.0 CB A:LEU356 5.0 53.6 1.0 CG A:LEU353 5.0 40.9 1.0

Chlorine binding site 2 out of 2 in the Human Ppargamma Ligand-Binding Domain in Complex with Indomethacin and Nitro-233


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 and Nitro-233 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3 b:77.7 occ:1.00 CL B:IMN3 0.0 77.7 1.0 C13 B:IMN3 1.7 78.9 1.0 C14 B:IMN3 2.7 79.2 1.0 C12 B:IMN3 2.7 79.5 1.0 CA B:GLY284 3.8 54.0 1.0 CE1 B:PHE264 3.8 83.0 1.0 CD1 B:PHE264 4.0 82.3 1.0 C15 B:IMN3 4.0 79.8 1.0 C11 B:IMN3 4.1 79.9 1.0 O B:ILE281 4.1 58.8 1.0 C B:GLY284 4.3 53.0 1.0 CE B:MET348 4.4 54.0 1.0 CA B:ILE281 4.4 59.5 1.0 C10 B:IMN3 4.6 80.2 1.0 N B:GLY284 4.6 57.3 1.0 N B:CYS285 4.6 53.0 1.0 C B:ILE281 4.7 60.0 1.0 CG2 B:ILE281 4.7 58.1 1.0 O B:GLY284 4.8 51.8 1.0 O B:ARG280 4.8 58.0 1.0 CZ B:PHE264 5.0 83.1 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