5A86

Structure of pregnane X receptor in complex with a Sphingosine 1- Phosphate Receptor 1 Antagonist

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	314	36136.7	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, STEROID RECEPTOR COACTIVATOR 1
2	C, D	NUCLEAR RECEPTOR COACTIVATOR 1	polymer	17	2022.3	2	UniProt (Q15788) 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, STEROID RECEPTOR COACTIVATOR 1
3	A, B	4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide	non-polymer		431.9	2	Chemie (D7E)
4		water	water		18.0	301	Chemie (HOH)

Sequence modifications

A, B: 130 - 432 (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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	76318.1
Non-Polymers*	Number of molecules	2
	Total formula weight	863.7
All*	Total formula weight	77181.9

*Water molecules are not included.