1NRL

Crystal Structure of the human PXR-LBD in complex with an SRC-1 coactivator peptide and SR12813

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Orphan nuclear receptor PXR	polymer	316	36280.9	2	UniProt (O75469) Pfam (PF00104) In PDB	Homo sapiens (human)	Pregnane X receptor, Orphan nuclear receptor PAR1, Steroid and xenobiotic receptor, SXR
2	C, D	Nuclear Receptor Coactivator 1 isoform 3	polymer	25	2806.2	2	GenBank (22538459) Pfam (PF08832) UniProt (by SIFTS) (Q15788) In PDB
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	500	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 119	-	expression tag
Lys 120	-	expression tag
Lys 121	-	expression tag
Gly 122	-	expression tag
His 123	-	expression tag
His 124	-	expression tag
His 125	-	expression tag
His 126	-	expression tag
His 127	-	expression tag
His 128	-	expression tag
Gly 129	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	78174.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1009.1
All*	Total formula weight	79183.1

*Water molecules are not included.