Chlorine in PDB 3fej: Design and Biological Evaluation of Novel, Balanced Dual Ppara/G Agonists

The structure of Design and Biological Evaluation of Novel, Balanced Dual Ppara/G Agonists, PDB code: 3fej was solved by J.Benz, U.Grether, B.Gsell, A.Binggeli, H.Hilpert, B.Kuhn, H.P.Maerki, P.Mohr, A.Ruf, M.Stihle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.173, 68.817, 88.774, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 25

The binding sites of Chlorine atom in the Design and Biological Evaluation of Novel, Balanced Dual Ppara/G Agonists (pdb code 3fej). 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 Design and Biological Evaluation of Novel, Balanced Dual Ppara/G Agonists, PDB code: 3fej:

Chlorine binding site 1 out of 1 in the Design and Biological Evaluation of Novel, Balanced Dual Ppara/G Agonists


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Design and Biological Evaluation of Novel, Balanced Dual Ppara/G Agonists within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:44.6 occ:1.00 CL25 A:CTM1 0.0 44.6 1.0 C21 A:CTM1 1.8 41.6 1.0 C24 A:CTM1 2.7 40.8 1.0 C23 A:CTM1 2.7 41.0 1.0 O A:HOH515 3.5 41.0 1.0 C16 A:CTM1 4.0 39.3 1.0 C15 A:CTM1 4.0 39.7 1.0 O A:HOH508 4.4 45.0 1.0 CA A:GLY284 4.5 26.0 1.0 C9 A:CTM1 4.5 38.5 1.0 O A:HOH489 4.7 38.8 1.0

U.Grether, A.Benardeau, J.Benz, A.Binggeli, D.Blum, H.Hilpert, B.Kuhn, H.P.Maerki, M.Meyer, P.Mohr, K.Puntener, S.Raab, A.Ruf, D.Schlatter. Design and Biological Evaluation of Novel, Balanced Dual Pparalpha/Gamma Agonists Chemmedchem V. 4 951 2009.
ISSN: ISSN 1860-7179
PubMed: 19326383
DOI: 10.1002/CMDC.200800425