› 4xld

X-ray diffraction
2.45Å resolution

Crystal structure of the human PPARg-LBD/rosiglitazone complex obtained by dry co-crystallization and in situ diffraction

Released:
DOI: 10.2210/pdb4xld/pdb
PDB entry 4xld coloured by chain, front view.
PDB entry 4xld coloured by chain, side view.
PDB entry 4xld coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Gelin M, Delfosse V, Allemand F, Hoh F, Sallaz-Damaz Y, Pirocchi M, Bourguet W, Ferrer JL, Labesse G, Guichou JF
Acta Crystallogr D Biol Crystallogr 71 1777-87 (2015)
PMID: 26249358

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153368 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor gamma Chain: A
Molecule details ›
Chain: A
Length: 296 amino acids
Theoretical weight: 33.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P37231 (Residues: 231-505; Coverage: 55%)
Gene names: NR1C3, PPARG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
Ligand FMT 1 x FMT
Ligand BRL 1 x BRL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM30A
Spacegroup: P43212
Unit cell:
a: 66.99Å b: 66.99Å c: 157.44Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.191 0.222
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

Peptidyl-Proline Isomerases (PPIases): Targets for Natural Products and Natural Product-Inspired Compounds.
Dunyak et al. (2016)
2 more

5 mentions without citation

Madecassic acid, the contributor to the anti-colitis effect of madecassoside, enhances the shift of Th17 toward Treg cells via the PPARĪ³/AMPK/ACC1 pathway.
Xu et al. (2017)
4 more