1M13

Crystal Structure of the Human Pregane X Receptor Ligand Binding Domain in Complex with Hyperforin, a Constituent of St. John's Wort

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, Orphan nuclear receptor PAR1, steroid and xenobiotic receptor, SXR
2	A	4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE	non-polymer		536.8	1	Chemie (HYF)
3		water	water		18.0	265	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	536.8
All*	Total formula weight	36817.7

*Water molecules are not included.