3T03

Crystal structure of PPAR gamma ligand binding domain in complex with a novel partial agonist GQ-16

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Peroxisome proliferator-activated receptor gamma	polymer	284	32399.5	2	UniProt (P37231) Pfam (PF00104) In PDB	Homo sapiens (human)	PPAR-gamma, Nuclear receptor subfamily 1 group C member 3
2	C, D	Nuclear receptor coactivator 1	polymer	18	2119.4	2	UniProt (Q15788) In PDB	Homo sapiens	NCoA-1, Class E basic helix-loop-helix protein 74, bHLHe74, Protein Hin-2, RIP160, Renal carcinoma antigen NY-REN-52, Steroid receptor coactivator 1, SRC-1
3	A, B	(5Z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione	non-polymer		418.3	2	Chemie (3T0)
4		water	water		18.0	316	Chemie (HOH)

Sequence modifications

A, B: 234 - 505 (UniProt: P37231)

PDB	External Database	Details
Met 222	-	expression tag
Gly 223	-	expression tag
Ser 224	-	expression tag
Ser 225	-	expression tag
His 226	-	expression tag
His 227	-	expression tag
His 228	-	expression tag
His 229	-	expression tag
His 230	-	expression tag
His 231	-	expression tag
Gly 232	-	expression tag
Gly 233	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	69037.9
Non-Polymers*	Number of molecules	2
	Total formula weight	836.6
All*	Total formula weight	69874.5

*Water molecules are not included.