8SVR

Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-326

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)	Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide	polymer	351	39895.6	2	UniProt (O75469) UniProt (Q15788) Pfam (PF00104) Pfam (PF08832)	Homo sapiens (human)
2	C (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
3	D, E (A, B)	(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide	non-polymer		524.7	2	Chemie (WT1)
4	F, G (A, B)	water	water		18.0	3	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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
Ser 435	-	linker
Gly 436	-	linker
Gly 437	-	linker
Ser 438	-	linker
Gly 439	-	linker
Gly 440	-	linker

A, B: 441 - 473 (UniProt: Q15788)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79791.3
Non-Polymers*	Number of molecules	3
	Total formula weight	1127.4
All*	Total formula weight	80918.7

*Water molecules are not included.