4JYG

Crystal structure of RARbeta LBD in complex with agonist BMS411 [4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}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)	Steroid Receptor Coactivator 1	polymer	13	1591.9	2	UniProt (Q15788)	Homo sapiens	SRC-1
3	E, G (A, B)	4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid	non-polymer		397.5	2	Chemie (1NY) PubChem (10453421)
4	F (B)	2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL	non-polymer		354.4	1	Chemie (PE4) PubChem (448032)
5	H (G)	CITRATE ANION	non-polymer		189.1	1	Chemie (FLC) PubChem (31348)
6	I, J, K, L (A, B, F, G)	water	water		18.0	201	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	4
	Total formula weight	1338.5
All*	Total formula weight	64916.2

*Water molecules are not included.