5X0R

Crystal Structure of PXR LBD Complexed with SJB7

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Nuclear receptor subfamily 1 group I member 2	polymer	316	36208.7	2	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	C, D	Nuclear receptor coactivator 1	polymer	25	2806.2	2	UniProt (Q15788) Pfam (PF08832) In PDB	Homo sapiens (Human)	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
3	A, B	4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole	non-polymer		429.5	2	Chemie (4WH)
4		water	water		18.0	20	Chemie (HOH)

Sequence modifications

A, B: 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	4
	Total formula weight	78029.8
Non-Polymers*	Number of molecules	2
	Total formula weight	859.1
All*	Total formula weight	78888.9

*Water molecules are not included.