4XHD

STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1

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	315	36223.8	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	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
3	A	N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide	non-polymer		421.0	1	Chemie (40U)
4		water	water		18.0	68	Chemie (HOH)

Sequence modifications

A: 130 - 434 (UniProt: O75469)

PDB	External Database	Details
Met 120	-	initiating methionine
Lys 121	-	expression tag
Lys 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	36223.8
Non-Polymers*	Number of molecules	2
	Total formula weight	513.1
All*	Total formula weight	36736.9

*Water molecules are not included.