6ITM

Crystal structure of FXR in complex with agonist XJ034

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Bile acid receptor	polymer	240	27949.1	2	UniProt (Q96RI1) Pfam (PF00104)	Homo sapiens (Human)	Farnesoid X-activated receptor,Farnesol receptor HRR-1,Nuclear receptor subfamily 1 group H member 4,Retinoid X receptor-interacting protein 14,RXR-interacting protein 14
2	B, D (B, D)	HD3 Peptide from Nuclear receptor coactivator 1	polymer	14	1790.0	2	UniProt (Q15788)	Homo sapiens	SRC-1 HD3
3	E, F (A, C)	1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone	non-polymer		372.9	2	Chemie (AWL)
4	G, H, I (A, B, C)	water	water		18.0	33	Chemie (HOH)

Sequence modifications

A, C: 257 - 486 (UniProt: Q96RI1)

PDB	External Database	Details
Met 247	-	expression tag
Gly 248	-	expression tag
His 249	-	expression tag
His 250	-	expression tag
His 251	-	expression tag
His 252	-	expression tag
His 253	-	expression tag
His 254	-	expression tag
Gly 255	-	expression tag
Ser 256	-	expression tag
Ala 291	Glu 291	engineered mutation
Ala 364	Glu 364	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	59478.2
Non-Polymers*	Number of molecules	2
	Total formula weight	745.9
All*	Total formula weight	60224.1

*Water molecules are not included.