5HJP

Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Retinoic acid receptor RXR-beta	polymer	254	28047.3	2	UniProt (P28702) Pfam (PF00104) In PDB	Homo sapiens (Human)	Nuclear receptor subfamily 2 group B member 2,Retinoid X receptor beta
2	B, D	Oxysterols receptor LXR-beta	polymer	264	29968.3	2	UniProt (P55055) Pfam (PF00104) In PDB	Homo sapiens (Human)	Liver X receptor beta,Nuclear receptor NER,Nuclear receptor subfamily 1 group H member 2,Ubiquitously-expressed nuclear receptor
3	B, D	2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide	non-polymer		518.0	2	Chemie (668)
4	B, C	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
5		water	water		18.0	46	Chemie (HOH)

Sequence modifications

A, C: 299 - 533 (UniProt: P28702)

PDB	External Database	Details
Gly 534	-	expression tag
Ser 535	-	expression tag
Gly 536	-	expression tag
Ser 537	-	expression tag
Gly 538	-	expression tag
Ser 539	-	expression tag
His 540	-	expression tag
Lys 541	-	expression tag
Ile 542	-	expression tag
Leu 543	-	expression tag
His 544	-	expression tag
Arg 545	-	expression tag
Leu 546	-	expression tag
Leu 547	-	expression tag
Gln 548	-	expression tag
Asp 549	-	expression tag
Ser 550	-	expression tag
Ser 551	-	expression tag
Ser 552	-	expression tag

B, D: 217 - 461 (UniProt: P55055)

PDB	External Database	Details
Ala 259	Gln 258	engineered mutation
Gly 261	Arg 260	engineered mutation
Ser 262	Asp 261	engineered mutation
Ser 264	Arg 263	engineered mutation
Gly 462	-	expression tag
Ser 463	-	expression tag
Gly 464	-	expression tag
Ser 465	-	expression tag
Gly 466	-	expression tag
Ser 467	-	expression tag
His 468	-	expression tag
Lys 469	-	expression tag
Ile 470	-	expression tag
Leu 471	-	expression tag
His 472	-	expression tag
Arg 473	-	expression tag
Leu 474	-	expression tag
Leu 475	-	expression tag
Gln 476	-	expression tag
Asp 477	-	expression tag
Ser 478	-	expression tag
Ser 479	-	expression tag
Ser 480	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	116031.1
Non-Polymers*	Number of molecules	4
	Total formula weight	1248.3
All*	Total formula weight	117279.4

*Water molecules are not included.