› 5y1j

X-ray diffraction
2Å resolution

Crystal structure of human FXR in complex with a functional drug ligand

Released:
DOI: 10.2210/pdb5y1j/pdb
PDB entry 5y1j coloured by chain, front view.
PDB entry 5y1j coloured by chain, side view.
PDB entry 5y1j coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Lu Y, Li Y

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 Chain: A
Molecule details ›
Chain: A
Length: 228 amino acids
Theoretical weight: 26.61 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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 Chain: U
Molecule details ›
Chain: U
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:
Ligand D5H 1 x D5H
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: C2221
Unit cell:
a: 34.668Å b: 162.046Å c: 115.619Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.238
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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