6S41

CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Nuclear receptor subfamily 1 group I member 2	polymer	323	36809.4	2	UniProt (O75469) Pfam (PF00104)	Homo sapiens (Human)	Orphan nuclear receptor PAR1,Orphan nuclear receptor PXR,Pregnane X receptor,Steroid and xenobiotic receptor,SXR
2	C, D (A, B)	4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide	non-polymer		447.9	2	Chemie (KUB)
3	E, F (A, B)	water	water		18.0	20	Chemie (HOH)

Sequence modifications

A, B: 138 - 672 (UniProt: O75469)

PDB	External Database	Details
Gly 673	-	expression tag
Gly 674	-	expression tag
Ser 675	-	expression tag
Gly 676	-	expression tag
Gly 677	-	expression tag
Ser 678	-	expression tag
Ser 679	-	expression tag
His 680	-	expression tag
Ser 681	-	expression tag
Ser 682	-	expression tag
Leu 683	-	expression tag
Thr 684	-	expression tag
Glu 685	-	expression tag
Arg 686	-	expression tag
His 687	-	expression tag
Lys 688	-	expression tag
Ile 689	-	expression tag
Leu 690	-	expression tag
His 691	-	expression tag
Arg 692	-	expression tag
Leu 693	-	expression tag
Leu 694	-	expression tag
Gln 695	-	expression tag
Glu 696	-	expression tag
Gly 697	-	expression tag
Ser 698	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73618.9
Non-Polymers*	Number of molecules	2
	Total formula weight	895.8
All*	Total formula weight	74514.6

*Water molecules are not included.