› 3r5n

X-ray diffraction
2Å resolution

Crystal structure of PPARgammaLBD complexed with the agonist magnolol

Released:
DOI: 10.2210/pdb3r5n/pdb
PDB entry 3r5n coloured by chain, front view.
PDB entry 3r5n coloured by chain, side view.
PDB entry 3r5n coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular determinants of magnolol targeting both RXRα and PPARγ.
Zhang H, Xu X, Chen L, Chen J, Hu L, Jiang H, Shen X
PLoS One 6 e28253 (2011)
PMID: 22140563

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor gamma Chain: A
Molecule details ›
Chain: A
Length: 274 amino acids
Theoretical weight: 31.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P37231 (Residues: 232-505; Coverage: 54%)
Gene names: NR1C3, PPARG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand MLO 2 x MLO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P43212
Unit cell:
a: 66.04Å b: 66.04Å c: 155.26Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.26 0.258 0.293
Expression system: Escherichia coli

Quick links

Citations

10 review citations

A structural perspective on nuclear receptors as targets of environmental compounds.
Delfosse et al. (2015)
9 more

12 mentions without citation

Discovery and resupply of pharmacologically active plant-derived natural products: A review.
Atanasov et al. (2015)
11 more