3KMZ

Crystal structure of RARalpha ligand binding domain in complex with the inverse agonist BMS493 and a corepressor fragment

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (B, A)	Retinoic acid receptor alpha	polymer	266	29967.6	2	UniProt (P10276) Pfam (PF00104)	Homo sapiens (human)	RAR-alpha, Nuclear receptor subfamily 1 group B member 1
2	B, D (C, D)	Nuclear receptor corepressor 1	polymer	19	2246.6	2	UniProt (O75376)		N-CoR1, N-CoR
3	E, J (B, A)	4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid	non-polymer		404.5	2	Chemie (EQO)
4	F, G, H, I, K... (B, A)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
5	P, Q, R, S (B, C, A, D)	water	water		18.0	298	Chemie (HOH)

Sequence modifications

B, A: 176 - 421 (UniProt: P10276)

PDB	External Database	Details
Met 156	-	expression tag
Gly 157	-	expression tag
Ser 158	-	expression tag
Ser 159	-	expression tag
His 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
Ser 166	-	expression tag
Ser 167	-	expression tag
Gly 168	-	expression tag
Leu 169	-	expression tag
Val 170	-	expression tag
Pro 171	-	expression tag
Arg 172	-	expression tag
Gly 173	-	expression tag
Ser 174	-	expression tag
His 175	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	64428.4
Non-Polymers*	Number of molecules	11
	Total formula weight	1637.8
All*	Total formula weight	66066.2

*Water molecules are not included.