6BNS

STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES

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,Nuclear receptor coactivator 1 Chimera	polymer	351	39895.6	2	UniProt (O75469) UniProt (Q15788) Pfam (PF00104) Pfam (PF08832)	Homo sapiens (Human)	Orphan nuclear receptor PAR1,Orphan nuclear receptor PXR,Pregnane X receptor,Steroid and xenobiotic receptor,SXR,NCoA-1,Class E basic helix-loop-helix protein 74,bHLHe74,Protein Hin-2,RIP160,Renal carcinoma antigen NY-REN-52,Steroid receptor coactivator 1,SRC-1
2	C, D (A, B)	2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide	non-polymer		604.6	2	Chemie (XGH)
3	E, F (A, B)	water	water		18.0	69	Chemie (HOH)

Sequence modifications

A, B: 130 - 432 (UniProt: O75469)

PDB	External Database	Details
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
Ser 432	-	linker
Gly 432	-	linker
Gly 432	-	linker
Ser 432	-	linker
Gly 432	-	linker
Gly 432	-	linker

A, B: 432 - 472 (UniProt: Q15788)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79791.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1209.1
All*	Total formula weight	81000.4

*Water molecules are not included.