› 5i4v

X-ray diffraction
2.61Å resolution

Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists

Released:
DOI: 10.2210/pdb5i4v/pdb
PDB entry 5i4v coloured by chain, front view.
PDB entry 5i4v coloured by chain, side view.
PDB entry 5i4v coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) β Agonist.
Zheng Y, Zhuang L, Fan KY, Tice CM, Zhao W, Dong C, Lotesta SD, Leftheris K, Lindblom PR, Liu Z, Shimada J, Noto PB, Meng S, Hardy A, Howard L, Krosky P, Guo J, Lipinski K, Kandpal G, Bukhtiyarov Y, Zhao Y, Lala D, Van Orden R, Zhou J, Chen G, Wu Z, McKeever BM, McGeehan GM, Gregg RE, Claremon DA, Singh SB
J Med Chem 59 3264-71 (2016)
PMID: 26990539

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151265 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nuclear receptor coactivator 2; Oxysterols receptor LXR-beta Chains: A, E
Molecule details ›
Chains: A, E
Length: 270 amino acids
Theoretical weight: 30.57 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P55055 (Residues: 210-460; Coverage: 55%)
  • Canonical: Q15596 (Residues: 687-699; Coverage: 1%)
Gene names: BHLHE75, LXRB, NCOA2, NER, NR1H2, SRC2, TIF2, UNR
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 2; Retinoic acid receptor RXR-beta Chains: B, F
Molecule details ›
Chains: B, F
Length: 255 amino acids
Theoretical weight: 28.11 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q15596 (Residues: 687-699; Coverage: 1%)
  • Canonical: P28702 (Residues: 293-528; Coverage: 44%)
Gene names: BHLHE75, NCOA2, NR2B2, RXRB, SRC2, TIF2
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand 67S 2 x 67S
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P212121
Unit cell:
a: 68.637Å b: 101.221Å c: 143.274Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.208 0.248
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Liver X receptors in lipid signalling and membrane homeostasis.
Wang et al. (2018)
6 more