3SP9

Structural basis for iloprost as a dual PPARalpha/delta agonist

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 delta	polymer	281	32229.4	2	UniProt (Q03181) Pfam (PF00104)	Homo sapiens (human)	PPAR-delta, NUCI, Nuclear hormone receptor 1, NUC1, Nuclear receptor subfamily 1 group C member 2, Peroxisome proliferator-activated receptor beta, PPAR-beta
2	C, D (A, B)	(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid	non-polymer		360.5	2	Chemie (IL2)
3	E, F (A, B)	water	water		18.0	385	Chemie (HOH)

Sequence modifications

A, B: 173 - 441 (UniProt: Q03181)

PDB	External Database	Details
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag
Leu 167	-	expression tag
Val 168	-	expression tag
Pro 169	-	expression tag
Arg 170	-	expression tag
Gly 171	-	expression tag
Ser 172	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	64458.8
Non-Polymers*	Number of molecules	2
	Total formula weight	721.0
All*	Total formula weight	65179.8

*Water molecules are not included.