6F2L

Crystal structure of the complex between PPARgamma LBD and the ligand LJ570: structure obtained from crystals of the apo-form soaked for 15 days.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Peroxisome proliferator-activated receptor gamma	polymer	304	34582.9	2	UniProt (P37231) Pfam (PF00104)	Homo sapiens (Human)	PPAR-gamma,Nuclear receptor subfamily 1 group C member 3
2	C (A)	(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid	non-polymer		394.5	1	Chemie (AXY)
3	D, E (A, B)	water	water		18.0	151	Chemie (HOH)

Sequence modifications

A, B: 195 - 477 (UniProt: P37231)

PDB	External Database	Details
Met 174	-	initiating methionine
Gly 175	-	expression tag
Ser 176	-	expression tag
Ser 177	-	expression tag
His 178	-	expression tag
His 179	-	expression tag
His 180	-	expression tag
His 181	-	expression tag
His 182	-	expression tag
His 183	-	expression tag
Ser 184	-	expression tag
Ser 185	-	expression tag
Gly 186	-	expression tag
Leu 187	-	expression tag
Val 188	-	expression tag
Pro 189	-	expression tag
Arg 190	-	expression tag
Gly 191	-	expression tag
Ser 192	-	expression tag
His 193	-	expression tag
Met 194	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69165.8
Non-Polymers*	Number of molecules	1
	Total formula weight	394.5
All*	Total formula weight	69560.3

*Water molecules are not included.