8SZV

Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318

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	36208.7	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	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide	non-polymer		581.5	1	Chemie (X1D)
3		water	water		18.0	43	Chemie (HOH)

Sequence modifications

A: 130 - 434 (UniProt: O75469)

PDB	External Database	Details
Met 119	-	initiating methionine
Gly 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	36208.7
Non-Polymers*	Number of molecules	1
	Total formula weight	581.5
All*	Total formula weight	36790.3

*Water molecules are not included.