3BEJ: Human FXR

Structure of human FXR in complex with MFA-1 and co-activator peptide. Determined by X-ray diffraction at 1.9 Å resolution. Released 18 Mar 2008.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,349
Mol. weight: 62.31 kDa
Ligands: MUF, YT3
Released: 18 Mar 2008

Explore 3BEJ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3BEJ contains 25 α-helices and 0 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 12 helices, 0 β-strands

Element	Residues	Length
α-helix	247-260	14
α-helix	267-275	9
α-helix	280-304	25
α-helix	308-310	3
α-helix	315-338	24
α-helix	345-352	8
α-helix	359-373	15
α-helix	379-390	12
α-helix	401-422	22
α-helix	429-441	13
α-helix	443-456	14
α-helix	463-469	7

Chain B: 11 helices, 0 β-strands

Element	Residues	Length
α-helix	247-259	13
α-helix	267-275	9
α-helix	280-303	24
α-helix	308-310	3
α-helix	313-336	24
α-helix	346-352	7
α-helix	359-374	16
α-helix	379-390	12
α-helix	401-419	19
α-helix	429-456	28
α-helix	463-468	6

Chain E: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	688-693	6

Chain F: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	688-694	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Bile acid receptor	A, B	protein	238	Homo sapiens	Q96RI1 (AlphaFold model)
Nuclear receptor coactivator 1	E, F	protein	25	Homo sapiens	Q15788 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3BEJ_1 Bile acid receptor (chains A, B)
TTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNH
VQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRN
SGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDV
LQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ

Sequence of entity 2 (E, F), FASTA

>3BEJ_2 Nuclear receptor coactivator 1 (chains E, F)
CPSSHSSLTERHKILHRLLQEGSPS

Ligands and cofactors

ID	Name	Formula	Copies
MUF	(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-dien…	C27 H32 O4	2
YT3	Yttrium (III) ion	Y	2

Primary citation

Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation. Soisson, S.M., Parthasarathy, G., Adams, A.D. et al. Proc Natl Acad Sci U S A (2008) 105:5337-5342. DOI 10.1073/pnas.0710981105 · PubMed

Other PDB entries of the same protein (UniProt Q96RI1 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6HL1 1.6 Å, Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA
6HL0 1.66 Å, Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide
4OIV 1.7 Å, Structural basis for small molecule NDB as a selective antagonist of FXR
5Q0I 1.7 Å, Ligand binding to FARNESOID-X-RECEPTOR
1OSH 1.8 Å, A Chemical, Genetic, and Structural Analysis of the nuclear bile acid receptor FXR
5Q0K 1.8 Å, Ligand binding to FARNESOID-X-RECEPTOR
5Q0P 1.8 Å, Ligand binding to FARNESOID-X-RECEPTOR
5Q14 1.85 Å, Ligand binding to FARNESOID-X-RECEPTOR
5Q1E 1.85 Å, Ligand binding to FARNESOID-X-RECEPTOR
5Q0V 1.87 Å, Ligand binding to FARNESOID-X-RECEPTOR
5Q1D 1.89 Å, Ligand binding to FARNESOID-X-RECEPTOR
3L1B 1.9 Å, Complex Structure of FXR Ligand-binding domain with a tetrahydroazepinoindole compound

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