6T9C

Crystal structure of the complex between PPARgamma LBD and the ligand NV1346 (3a)

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	304	34582.9	2	UniProt (P37231) Pfam (PF00104) In PDB	Homo sapiens (Human)	PPAR-gamma,Nuclear receptor subfamily 1 group C member 3
2	A	4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide	non-polymer		336.4	1	Chemie (MX8)
3		water	water		18.0	176	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	336.4
All*	Total formula weight	69502.2

*Water molecules are not included.