4wvd

X-ray diffraction
2.9Å resolution

Identification of a novel FXR ligand that regulates metabolism

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
PDBe Complex ID:
PDB-CPX-130927 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nuclear receptor corepressor 1 Chains: C, D
Molecule details ›
Chains: C, D
Length: 17 amino acids
Theoretical weight: 1.87 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: O75376 (Residues: 2259-2275; Coverage: 1%)
Gene names: KIAA1047, NCOR1
Bile acid receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 211 amino acids
Theoretical weight: 24.6 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q96RI1 (Residues: 258-468; Coverage: 43%)
Gene names: BAR, FXR, HRR1, NR1H4, RIP14
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: I212121
Unit cell:
a: 53.008Å b: 161.759Å c: 169.018Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.279 0.277 0.302
Expression systems:
  • Not provided
  • Escherichia coli BL21(DE3)