4JYI

Crystal structure of RARbeta LBD in complex with selective partial agonist BMS641 [3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid]

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)	Retinoic acid receptor beta	polymer	267	30197.0	2	UniProt (P10826) Pfam (PF00104)	Homo sapiens (human)	RAR-beta, HBV-activated protein, Nuclear receptor subfamily 1 group B member 2, RAR-epsilon
2	C, D (F, G)	Nuclear receptor coactivator 1	polymer	13	1591.9	2	UniProt (Q15788)	Homo sapiens	SRC-1
3	E, F (A, B)	3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid	non-polymer		414.9	2	Chemie (JYI)
4	G (G)	CITRATE ANION	non-polymer		189.1	1	Chemie (FLC)
5	H, I, J, K (A, B, F, G)	water	water		18.0	443	Chemie (HOH)

Sequence modifications

A, B: 169 - 414 (UniProt: P10826)

PDB	External Database	Details
Met 148	-	expression tag
Gly 149	-	expression tag
Ser 150	-	expression tag
Ser 151	-	expression tag
His 152	-	expression tag
His 153	-	expression tag
His 154	-	expression tag
His 155	-	expression tag
His 156	-	expression tag
His 157	-	expression tag
Ser 158	-	expression tag
Ser 159	-	expression tag
Gly 160	-	expression tag
Leu 161	-	expression tag
Val 162	-	expression tag
Pro 163	-	expression tag
Arg 164	-	expression tag
Gly 165	-	expression tag
Ser 166	-	expression tag
His 167	-	expression tag
Met 168	-	expression tag
Met 407	Leu 414	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	63577.8
Non-Polymers*	Number of molecules	3
	Total formula weight	1018.9
All*	Total formula weight	64596.7

*Water molecules are not included.