4J5X

Crystal Structure of the SR12813-bound PXR/RXRalpha LBD Heterotetramer Complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	D, C	Retinoic acid receptor RXR-alpha, Nuclear receptor coactivator 1	polymer	264	29412.9	2	UniProt (P19793) UniProt (Q15788) Pfam (PF00104) In PDB	Homo sapiens (human)	Nuclear receptor subfamily 2 group B member 1, Retinoid X receptor alpha, 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
2	A, B	Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1	polymer	336	38123.8	2	UniProt (O75469) UniProt (Q15788) Pfam (PF00104) In PDB	Homo sapiens (human)	Orphan nuclear receptor PAR1, Orphan nuclear receptor PXR, Pregnane X receptor, Steroid and xenobiotic receptor, SXR, 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	A, B	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER	non-polymer		504.5	2	Chemie (SRL)
4		water	water		18.0	160	Chemie (HOH)

Sequence modifications

D, C: 227 - 462 (UniProt: P19793)

PDB	External Database	Details
Gly 463	-	linker
Gly 464	-	linker
Ser 465	-	linker

D, C: 468 - 490 (UniProt: Q15788)

PDB	External Database	Details
Gly 466	-	linker
Gly 467	-	linker

A, B: 130 - 434 (UniProt: O75469)

PDB	External Database	Details
Ser 127	-	expression tag
Asn 128	-	expression tag
Ala 129	-	expression tag

A, B: 440 - 462 (UniProt: Q15788)

PDB	External Database	Details
Gly 435	-	linker
Gly 436	-	linker
Ser 437	-	linker
Gly 438	-	linker
Gly 439	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	135073.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1009.1
All*	Total formula weight	136082.3

*Water molecules are not included.