Bromine in PDB 3t03: Crystal Structure of Ppar Gamma Ligand Binding Domain in Complex with A Novel Partial Agonist Gq-16

All present enzymatic activity of Crystal Structure of Ppar Gamma Ligand Binding Domain in Complex with A Novel Partial Agonist Gq-16:
2.3.1.48;

The structure of Crystal Structure of Ppar Gamma Ligand Binding Domain in Complex with A Novel Partial Agonist Gq-16, PDB code: 3t03 was solved by S.Rajagopalan, P.Webb, J.D.Baxter, R.G.Brennan, K.J.Phillips, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.04 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.690, 84.390, 96.980, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 24.7

The binding sites of Bromine atom in the Crystal Structure of Ppar Gamma Ligand Binding Domain in Complex with A Novel Partial Agonist Gq-16 (pdb code 3t03). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Ppar Gamma Ligand Binding Domain in Complex with A Novel Partial Agonist Gq-16, PDB code: 3t03:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Ppar Gamma Ligand Binding Domain in Complex with A Novel Partial Agonist Gq-16


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Ppar Gamma Ligand Binding Domain in Complex with A Novel Partial Agonist Gq-16 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br2 b:52.8 occ:1.00 BRAE A:3T02 0.0 52.8 1.0 CAR A:3T02 2.0 60.1 1.0 CAI A:3T02 2.9 57.6 1.0 CAM A:3T02 3.1 49.2 1.0 CD1 A:PHE391 3.7 36.6 1.0 CB A:PHE391 3.7 42.3 1.0 CG A:PHE391 3.8 40.1 1.0 CD2 A:PHE388 4.0 45.0 1.0 O A:HOH10 4.1 48.7 1.0 O A:PHE388 4.1 43.5 1.0 CD1 A:PHE310 4.2 44.5 1.0 CB A:PHE310 4.3 40.4 1.0 CAL A:3T02 4.3 51.5 1.0 CB A:PHE388 4.3 44.9 1.0 CA A:PHE310 4.4 38.3 1.0 CG2 A:ILE309 4.4 32.6 1.0 CAT A:3T02 4.4 57.6 1.0 CE1 A:PHE391 4.5 36.6 1.0 CD1 A:LEU384 4.6 41.5 1.0 N A:PHE310 4.6 38.7 1.0 CD2 A:PHE391 4.6 43.1 1.0 CG A:PHE388 4.7 46.7 1.0 CG A:PHE310 4.7 43.5 1.0 CA A:PHE388 4.8 48.1 1.0 C A:PHE388 4.9 46.6 1.0 CAU A:3T02 4.9 53.3 1.0 O A:ALA306 5.0 35.4 1.0 CE2 A:PHE388 5.0 46.8 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Ppar Gamma Ligand Binding Domain in Complex with A Novel Partial Agonist Gq-16


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Ppar Gamma Ligand Binding Domain in Complex with A Novel Partial Agonist Gq-16 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1 b:69.4 occ:1.00 BRAE B:3T01 0.0 69.4 1.0 CAR B:3T01 1.9 59.9 1.0 CAI B:3T01 2.9 58.0 1.0 CAM B:3T01 3.0 57.1 1.0 O B:HOH84 3.6 41.9 1.0 CB B:PHE391 3.6 51.1 1.0 CD1 B:PHE391 3.7 48.9 1.0 CG B:PHE391 3.8 49.4 1.0 O B:PHE388 4.0 52.0 1.0 CD1 B:LEU384 4.1 42.3 1.0 CD1 B:PHE388 4.2 60.4 1.0 CB B:PHE388 4.3 59.0 1.0 CD1 B:PHE310 4.3 54.4 1.0 CAL B:3T01 4.3 64.2 1.0 CAT B:3T01 4.4 67.0 1.0 CG2 B:ILE309 4.4 43.8 1.0 CB B:PHE310 4.5 57.7 1.0 CA B:PHE310 4.5 55.1 1.0 CE1 B:PHE391 4.6 48.2 1.0 CA B:PHE388 4.7 57.3 1.0 CG B:PHE388 4.7 63.1 1.0 N B:PHE310 4.8 55.9 1.0 C B:PHE388 4.8 55.3 1.0 CD2 B:PHE391 4.8 51.3 1.0 CG B:MET392 4.8 45.7 1.0 CAU B:3T01 4.8 64.5 1.0 CG B:PHE310 4.9 57.3 1.0

A.A.Amato, S.Rajagopalan, J.Z.Lin, B.M.Carvalho, A.C.Figueira, J.Lu, S.D.Ayers, M.Mottin, R.L.Silveira, P.C.Souza, R.H.Mourao, M.J.Saad, M.Togashi, L.A.Simeoni, D.S.Abdalla, M.S.Skaf, I.Polikparpov, M.C.Lima, S.L.Galdino, R.G.Brennan, J.D.Baxter, I.R.Pitta, P.Webb, K.J.Phillips, F.A.Neves. Gq-16, A Novel Peroxisome Proliferator-Activated Receptor (Ppar Gamma) Ligand, Promotes Insulin Sensitization Without Weight Gain. J.Biol.Chem. V. 287 28169 2012.
ISSN: ISSN 0021-9258
PubMed: 22584573
DOI: 10.1074/JBC.M111.332106