3L1B: Farnesoid X receptor

Complex Structure of FXR Ligand-binding domain with a tetrahydroazepinoindole compound. Determined by X-ray diffraction at 1.9 Å resolution. Released 2 Mar 2010.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,833
Mol. weight: 27.71 kDa
Ligands: 635
Released: 2 Mar 2010

Explore 3L1B in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3L1B contains 13 α-helices and 0 β-strands across 1 chain. 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: 13 helices, 0 β-strands

Element	Residues	Length
α-helix	246-248	3
α-helix	251-264	14
α-helix	285-308	24
α-helix	312-314	3
α-helix	317-342	26
α-helix	346-348	3
α-helix	349-357	9
α-helix	363-378	16
α-helix	383-394	12
α-helix	405-426	22
α-helix	433-445	13
α-helix	447-460	14
α-helix	467-472	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Farnesoid X receptor	A	protein	233	Homo sapiens	Q96RI1 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>3L1B_1 Farnesoid X receptor (chains A)
GSHGELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLV
EFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISD
EYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLC
KIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ

Ligands and cofactors

ID	Name	Formula	Copies
635	1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbo…	C32 H38 F N3 O5	1

Primary citation

Improvement of Physiochemical Properties of the Tetrahydroazepinoindole Series of Farnesoid X Receptor (FXR) Agonists: Beneficial Modulation of Lipids in Primates. Lundquist, J.T., Harnish, D.C., Kim, C.Y. et al. J Med Chem (2010) 53:1774-1787. DOI 10.1021/jm901650u · 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
3BEJ 1.9 Å, Structure of human FXR in complex with MFA-1 and co-activator peptide

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