› 6a5z

X-ray diffraction
2.95Å resolution

Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1

Released:
DOI: 10.2210/pdb6a5z/pdb
PDB entry 6a5z coloured by chain, front view.
PDB entry 6a5z coloured by chain, side view.
PDB entry 6a5z coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ligand binding and heterodimerization with retinoid X receptor α (RXRα) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding.
Wang N, Zou Q, Xu J, Zhang J, Liu J
J Biol Chem 293 18180-18191 (2018)
PMID: 30275017

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-148717 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Bile acid receptor Chains: A, H
Molecule details ›
Chains: A, H
Length: 229 amino acids
Theoretical weight: 26.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q96RI1 (Residues: 258-486; Coverage: 47%)
Gene names: BAR, FXR, HRR1, NR1H4, RIP14
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Retinoic acid receptor RXR-alpha Chains: D, L
Molecule details ›
Chains: D, L
Length: 238 amino acids
Theoretical weight: 26.67 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P19793 (Residues: 225-462; Coverage: 52%)
Gene names: NR2B1, RXRA
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Nuclear receptor coactivator 1 Chains: E, F, G, I
Molecule details ›
Chains: E, F, G, I
Length: 16 amino acids
Theoretical weight: 1.91 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15788 (Residues: 685-700; Coverage: 1%)
Gene names: BHLHE74, NCOA1, SRC1

Ligands and Environments

2 bound ligands:
Ligand 9R3 2 x 9R3
Ligand 9CR 2 x 9CR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P212121
Unit cell:
a: 89.53Å b: 96.13Å c: 114.24Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.221 0.282
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

9 review citations

Farnesoid X receptor (FXR): Structures and ligands.
Jiang et al. (2021)
8 more

2 mentions without citation

Ligand binding and heterodimerization with retinoid X receptor α (RXRα) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding.
Wang et al. (2018)
1 more