7D42

Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Bile acid receptor	polymer	248	28882.1	1	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 (B)	Peptide from Nuclear receptor coactivator 2	polymer	14	1708.9	1	UniProt (Q15596)	Homo sapiens (Human)	NCoA-2,Class E basic helix-loop-helix protein 75,bHLHe75,Transcriptional intermediary factor 2,hTIF2
3	C (A)	Tropifexor	non-polymer		603.6	1	Chemie (GWF)

Sequence modifications

A: 244 - 470 (UniProt: Q96RI1)

PDB	External Database	Details
Met 223	-	expression tag
Gly 224	-	expression tag
Ser 225	-	expression tag
Ser 226	-	expression tag
His 227	-	expression tag
His 228	-	expression tag
His 229	-	expression tag
His 230	-	expression tag
His 231	-	expression tag
His 232	-	expression tag
Ser 233	-	expression tag
Ser 234	-	expression tag
Gly 235	-	expression tag
Leu 236	-	expression tag
Glu 237	-	expression tag
Val 238	-	expression tag
Leu 239	-	expression tag
Phe 240	-	expression tag
Gln 241	-	expression tag
Gly 242	-	expression tag
Pro 243	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	30591.0
Non-Polymers*	Number of molecules	1
	Total formula weight	603.6
All*	Total formula weight	31194.6

*Water molecules are not included.