3FC6

hRXRalpha & mLXRalpha with an indole Pharmacophore, SB786875

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Retinoic acid receptor RXR-alpha	polymer	242	27114.5	2	UniProt (P19793) Pfam (PF00104) In PDB	Homo sapiens (human)	Retinoid X receptor alpha, Nuclear receptor subfamily 2 group B member 1
2	B, D	Nr1h3 protein	polymer	266	30618.0	2	UniProt (Q91X41) Pfam (PF00104) UniProt (by SIFTS) (Q9Z0Y9) In PDB	Mus musculus (mouse)	Putative uncharacterized protein, Nuclear receptor subfamily 1 group H member 3, Nuclear receptor subfamily 1, group H, member 3, Nuclear receptor subfamily 1, group H, member 3, isoform CRA_a
3	A, C	RETINOIC ACID	non-polymer		300.4	2	Chemie (REA)
4	B, D	[4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid	non-polymer		621.1	2	Chemie (LX2)
5		water	water		18.0	229	Chemie (HOH)

Sequence modifications

A, C: 225 - 462 (UniProt: P19793)

PDB	External Database	Details
Met 221	-	expression tag
Lys 222	-	expression tag
Lys 223	-	expression tag
Gly 224	-	expression tag

B, D: 200 - 445 (UniProt: Q91X41)

PDB	External Database	Details
Met 180	-	expression tag
Arg 181	-	expression tag
Gly 182	-	expression tag
Ser 183	-	expression tag
His 184	-	expression tag
His 185	-	expression tag
His 186	-	expression tag
His 187	-	expression tag
His 188	-	expression tag
His 189	-	expression tag
Gly 190	-	expression tag
Met 191	-	expression tag
Ala 192	-	expression tag
Ser 193	-	expression tag
Leu 194	-	expression tag
Val 195	-	expression tag
Pro 196	-	expression tag
Arg 197	-	expression tag
Gly 198	-	expression tag
Ser 199	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	115465.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1843.0
All*	Total formula weight	117308.0

*Water molecules are not included.