6P2B

Tethered PXR-LBD/SRC-1p bound to Garcinoic Acid

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	344	39184.0	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, E (A, B)	(2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid	non-polymer		426.6	2	Chemie (NQD)
3	D, F, G (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
4	H, I (A, B)	water	water		18.0	122	Chemie (HOH)

Sequence modifications

A, B: 130 - 434 (UniProt: O75469)

PDB	External Database	Details
Met 119	-	expression tag
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	-	expression tag
Gly 435	-	expression tag
Gly 436	-	expression tag
Ser 437	-	expression tag
Gly 438	-	expression tag
Gly 439	-	expression tag
Ser 440	-	expression tag
Ser 441	-	expression tag
His 442	-	expression tag
Ser 443	-	expression tag
Ser 444	-	expression tag
Leu 445	-	expression tag
Thr 446	-	expression tag
Glu 447	-	expression tag
Arg 448	-	expression tag
His 449	-	expression tag
Lys 450	-	expression tag
Ile 451	-	expression tag
Leu 452	-	expression tag
His 453	-	expression tag
Arg 454	-	expression tag
Leu 455	-	expression tag
Leu 456	-	expression tag
Gln 457	-	expression tag
Glu 458	-	expression tag
Gly 459	-	expression tag
Ser 460	-	expression tag
Pro 461	-	expression tag
Ser 462	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	78368.1
Non-Polymers*	Number of molecules	5
	Total formula weight	1087.6
All*	Total formula weight	79455.6

*Water molecules are not included.