1ILH

Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	ORPHAN NUCLEAR RECEPTOR PXR	polymer	316	36280.9	1	UniProt (O75469) Pfam (PF00104) In PDB	Homo sapiens (human)	PREGNANE X RECEPTOR
2	A	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER	non-polymer		504.5	1	Chemie (SRL)
3		water	water		18.0	166	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	36280.9
Non-Polymers*	Number of molecules	1
	Total formula weight	504.5
All*	Total formula weight	36785.4

*Water molecules are not included.