9VBR

Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide

This is a non-PDB format compatible entry.

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)	Bile acid receptor,Nuclear receptor coactivator 1	polymer	260	29968.2	2	UniProt (Q96RI1) UniProt (Q15788) 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,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
2	C, D (A, B)	5-azanyl-2-[(2~{S})-1-[(2~{S},4~{R})-2,6-dimethyl-4-phenylazanyl-3,4-dihydro-2~{H}-quinolin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione	non-polymer		468.5	2	Chemie (A1ERI)
3	E, F, G (B)	FORMIC ACID	non-polymer		46.0	3	Chemie (FMT) PubChem (284)
4	H, I (A, B)	water	water		18.0	71	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	conflict
Ala 364	Glu 364	conflict
Gly 486	-	linker
Ser 487	-	linker
Gly 488	-	linker
Ser 489	-	linker
Gly 490	-	linker
Ser 491	-	linker
Gly 492	-	linker
Ser 493	-	linker
Gly 494	-	linker

A, B: 495 - 506 (UniProt: Q15788)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	59936.5
Non-Polymers*	Number of molecules	5
	Total formula weight	1075.2
All*	Total formula weight	61011.6

*Water molecules are not included.