Chlorine in PDB 3cdp: Crystal Structure of Ppar-Gamma Lbd Complexed with A Partial Agonist, Analogue of Clofibric Acid

The structure of Crystal Structure of Ppar-Gamma Lbd Complexed with A Partial Agonist, Analogue of Clofibric Acid, PDB code: 3cdp was solved by G.Pochetti, R.Montanari, F.Mazza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.210, 61.650, 118.360, 90.00, 103.01, 90.00
R / Rfree (%)	23.6 / 29.8

The binding sites of Chlorine atom in the Crystal Structure of Ppar-Gamma Lbd Complexed with A Partial Agonist, Analogue of Clofibric Acid (pdb code 3cdp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Ppar-Gamma Lbd Complexed with A Partial Agonist, Analogue of Clofibric Acid, PDB code: 3cdp:

Chlorine binding site 1 out of 1 in the Crystal Structure of Ppar-Gamma Lbd Complexed with A Partial Agonist, Analogue of Clofibric Acid


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 Lbd Complexed with A Partial Agonist, Analogue of Clofibric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:85.0 occ:1.00 CLAC A:YRG1 0.0 85.0 1.0 CAP A:YRG1 1.7 84.9 1.0 CAJ A:YRG1 2.7 83.7 1.0 CAI A:YRG1 2.7 84.4 1.0 NE2 A:GLN286 3.7 46.9 1.0 CB A:PHE282 3.9 58.5 1.0 CAL A:YRG1 4.0 83.9 1.0 CAK A:YRG1 4.0 83.7 1.0 O A:PHE282 4.0 54.4 1.0 CG A:GLN286 4.1 45.6 1.0 CD A:GLN286 4.2 46.0 1.0 SD A:MET463 4.2 70.6 1.0 CG A:MET463 4.4 68.7 1.0 C A:PHE282 4.5 56.0 1.0 CD1 A:ILE456 4.5 57.4 1.0 CAR A:YRG1 4.5 84.2 1.0 CD2 A:PHE282 4.5 60.5 1.0 CG A:PHE282 4.7 59.8 1.0 CA A:PHE282 4.8 57.8 1.0 CE A:MET463 4.8 69.5 1.0

G.Fracchiolla, A.Laghezza, L.Piemontese, M.Parente, A.Lavecchia, G.Pochetti, R.Montanari, C.Di Giovanni, G.Carbonara, P.Tortorella, E.Novellino, F.Loiodice. Synthesis, Biological Evaluation and Molecular Investigation of Fluorinated Peroxisome Proliferator-Activated Receptors Alpha/Gamma Dual Agonists Bioorg.Med.Chem. V. 20 2141 2012.
ISSN: ISSN 0968-0896
PubMed: 22341573
DOI: 10.1016/J.BMC.2012.01.025