6SSQ

Crystal structure of RARbeta LBD in complex with LG 100754

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 (Human)	NCoA-1,Class E basic helix-loop-helix protein 74,bHLHe74,Protein Hin-2,RIP160,Renal carcinoma antigen NY-REN-52,Steroid receptor coactivator 1,SRC-1
3	E, H (A, B)	(2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid	non-polymer		396.6	2	Chemie (754)
4	F (A)	CITRATE ANION	non-polymer		189.1	1	Chemie (FLC)
5	G (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	I, J, K, L (A, B, F, G)	water	water		18.0	126	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 148	-	initiating methionine
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	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	63577.8
Non-Polymers*	Number of molecules	4
	Total formula weight	1074.3
All*	Total formula weight	64652.1

*Water molecules are not included.