PDBe 5iaw

X-ray diffraction
2.58Å resolution

Novel natural FXR modulator with a unique binding mode

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (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 BL21(DE3)
UniProt:
  • Canonical: Q96RI1 (Residues: 259-486; 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: 10 amino acids
Theoretical weight: 1.22 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 742-751; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P2
Unit cell:
a: 54.748Å b: 34.951Å c: 144.107Å
α: 90° β: 90.74° γ: 90°
R-values:
R R work R free
0.197 0.195 0.249
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided