PDBe 5kya

X-ray diffraction
2.6Å resolution

Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Oxysterols receptor LXR-beta Chains: A, E
Molecule details ›
Chains: A, E
Length: 287 amino acids
Theoretical weight: 32.46 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P55055 (Residues: 209-460; Coverage: 55%)
Gene names: LXRB, NER, NR1H2, UNR
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Retinoic acid receptor RXR-beta Chains: B, F
Molecule details ›
Chains: B, F
Length: 256 amino acids
Theoretical weight: 28.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P28702 (Residues: 293-528; Coverage: 44%)
Gene names: NR2B2, RXRB
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P212121
Unit cell:
a: 68.439Å b: 101.089Å c: 143.58Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.197 0.249
Expression system: Escherichia coli BL21(DE3)