5AVI

Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Oxysterols receptor LXR-alpha	polymer	283	32866.4	2	UniProt (Q13133) Pfam (PF00104)	Homo sapiens (Human)	Liver X receptor alpha,Nuclear receptor subfamily 1 group H member 3
2	B, D (B, D)	Nuclear receptor coactivator 1	polymer	25	2806.2	2	UniProt (Q15788) Pfam (PF08832)	Homo sapiens	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, F (A, C)	tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate	non-polymer		423.4	2	Chemie (4KM)
4	G, H, I, J (A, B, C, D)	water	water		18.0	72	Chemie (HOH)

Sequence modifications

A, C: 182 - 447 (UniProt: Q13133)

PDB	External Database	Details
Met 165	-	initiating methionine
Lys 166	-	expression tag
His 167	-	expression tag
Gln 168	-	expression tag
His 169	-	expression tag
Gln 170	-	expression tag
His 171	-	expression tag
Gln 172	-	expression tag
His 173	-	expression tag
Gln 174	-	expression tag
His 175	-	expression tag
Gln 176	-	expression tag
His 177	-	expression tag
Gln 178	-	expression tag
Gln 179	-	expression tag
Pro 180	-	expression tag
Leu 181	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	71345.1
Non-Polymers*	Number of molecules	2
	Total formula weight	846.9
All*	Total formula weight	72192.0

*Water molecules are not included.