› 5wzx

X-ray diffraction
2.95Å resolution

Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR

Released:
DOI: 10.2210/pdb5wzx/pdb
PDB entry 5wzx coloured by chain, front view.
PDB entry 5wzx coloured by chain, side view.
PDB entry 5wzx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of an Oleanane-Type Triterpene Hedragonic Acid as a Novel Farnesoid X Receptor Ligand with Liver Protective Effects and Anti-inflammatory Activity.
Lu Y, Zheng W, Lin S, Guo F, Zhu Y, Wei Y, Liu X, Jin S, Jin L, Li Y
Mol Pharmacol 93 63-72 (2018)
PMID: 29162643

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172333 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Bile acid receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 228 amino acids
Theoretical weight: 26.67 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q96RI1 (Residues: 258-485; Coverage: 47%)
Gene names: BAR, FXR, HRR1, NR1H4, RIP14
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 2 Chains: C, D
Molecule details ›
Chains: C, D
Length: 12 amino acids
Theoretical weight: 1.46 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 741-752; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

2 bound ligands:
Ligand 7VX 2 x 7VX
Ligand BU3 3 x BU3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: C2221
Unit cell:
a: 74.561Å b: 86.075Å c: 177.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.208 0.262
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

8 review citations

Update on FXR Biology: Promising Therapeutic Target?
Han CY. (2018)
7 more