9FZI

A new crystal structure of the hPXR-LBD in fusion with an SRC1 co-activator peptide and in complex with SR12813 (P212121 form)

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	345	39479.5	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, D (A, B)	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER	non-polymer		504.5	2	Chemie (SRL)
3	E, F (A, B)	water	water		18.0	43	Chemie (HOH)

Sequence modifications

A, B: 130 - 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	-	expression tag
Leu 435	-	linker
Val 436	-	linker
Pro 437	-	linker
Arg 438	-	linker
Gly 439	-	linker
Ser 440	-	linker

A, B: 441 - 463 (UniProt: Q15788)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	78959.0
Non-Polymers*	Number of molecules	2
	Total formula weight	1009.1
All*	Total formula weight	79968.0

*Water molecules are not included.