2QNV

Crystal Structure of the Pregnane X Receptor bound to Colupulone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Orphan nuclear receptor PXR	polymer	316	36280.9	1	UniProt (O75469) Pfam (PF00104)	Homo sapiens (human)	Pregnane X receptor, Orphan nuclear receptor PAR1, Steroid and xenobiotic receptor, SXR
2	B (A)	3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one	non-polymer		400.6	1	Chemie (CDZ)
3	C (A)	water	water		18.0	20	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	400.6
All*	Total formula weight	36681.4

*Water molecules are not included.