4XAO

Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Nuclear receptor subfamily 1 group I member 2	polymer	316	36280.9	1	UniProt (O75469) Pfam (PF00104) In PDB	Homo sapiens (Human)	Orphan nuclear receptor PAR1,Orphan nuclear receptor PXR,Pregnane X receptor,Steroid and xenobiotic receptor,SXR
2	A	ISOPROPYL ALCOHOL	non-polymer		60.1	1	Chemie (IPA)
3	A	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
4		water	water		18.0	67	Chemie (HOH)

Sequence modifications

A: 130 - 434 (UniProt: O75469)

PDB	External Database	Details
Met 119	-	initiating methionine
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	2
	Total formula weight	178.3
All*	Total formula weight	36459.1

*Water molecules are not included.