2Q5G

Ligand binding domain of PPAR delta receptor in complex with a partial agonist

Summary for 2Q5G

Entry DOI	10.2210/pdb2q5g/pdb
Related	2GWX
Descriptor	Peroxisome proliferator-activated receptor delta, [(7-{[2-(3-MORPHOLIN-4-YLPROP-1-YN-1-YL)-6-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDIN-4-YL]THIO}-2,3-DIHYDRO-1H-INDEN- 4-YL)OXY]ACETIC ACID (2 entities in total)
Functional Keywords	ppar delta, transcription
Biological source	Homo sapiens (human)
Cellular location	Nucleus: Q03181
Total number of polymer chains	2
Total formula weight	66170.43
Authors	Pettersson, I.,Sauerberg, P.,Johansson, E.,Hoffman, I.,Tari, L.W.,Hunter, M.J.,Nix, J. (deposition date: 2007-06-01, release date: 2008-06-03, Last modification date: 2023-08-30)
Primary citation	Pettersson, I.,Ebdrup, S.,Havranek, M.,Pihera, P.,Korinek, M.,Mogensen, J.P.,Jeppesen, C.B.,Johansson, E.,Sauerberg, P. Design of a partial PPARdelta agonist. Bioorg.Med.Chem.Lett., 17:4625-4629, 2007 Cited by PubMed Abstract: Structure based ligand design was used in order to design a partial agonist for the PPARdelta receptor. The maximum activation in the transactivation assay was reduced from 87% to 39%. The crystal structure of the ligand binding domain of the PPARdelta receptor in complex with compound 2 was determined in order to understand the structural changes which gave rise to the decrease in maximum activation. PubMed: 17560785 DOI: 10.1016/j.bmcl.2007.05.079 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation