8HD3

Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Farnesoid X Receptor	polymer	260	29968.2	2	UniProt (Q96RI1) Pfam (PF00104) In PDB	Homo sapiens (human)
2	A, B	[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone	non-polymer		373.9	2	Chemie (XAW)
3		water	water		18.0	17	Chemie (HOH)

Sequence modifications

A, B: 257 - 485 (UniProt: Q96RI1)

PDB	External Database	Details
Met 247	-	initiating methionine
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
Gly 486	-	expression tag
Ser 487	-	expression tag
Gly 488	-	expression tag
Ser 489	-	expression tag
Gly 490	-	expression tag
Ser 491	-	expression tag
Gly 492	-	expression tag
Ser 493	-	expression tag
Gly 494	-	expression tag
Asp 495	-	expression tag
His 496	-	expression tag
Gln 497	-	expression tag
Leu 498	-	expression tag
Leu 499	-	expression tag
Arg 500	-	expression tag
Tyr 501	-	expression tag
Leu 502	-	expression tag
Leu 503	-	expression tag
Asp 504	-	expression tag
Lys 505	-	expression tag
Asp 506	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	59936.5
Non-Polymers*	Number of molecules	2
	Total formula weight	747.8
All*	Total formula weight	60684.3

*Water molecules are not included.