6HTY

PXR in complex with P2X4 inhibitor compound 25

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	polymer	344	39184.0	2	UniProt (O75469) UniProt (Q15788) Pfam (PF00104)	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 (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
3	D, E, F, H, I (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	5	Chemie (DMS)
4	G (B)	(2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide	non-polymer		430.9	1	Chemie (GRH)
5	J, K (A, B)	water	water		18.0	148	Chemie (HOH)

Sequence modifications

A, B: 129 - 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	Lys 129	cloning artifact
Gly 435	-	linker
Gly 436	-	linker
Ser 437	-	linker
Gly 438	-	linker
Gly 439	-	linker

A, B: 440 - 462 (UniProt: Q15788)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	78368.1
Non-Polymers*	Number of molecules	7
	Total formula weight	913.7
All*	Total formula weight	79281.7

*Water molecules are not included.