› 2xyj

X-ray diffraction
2.3Å resolution

Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy

Released:
DOI: 10.2210/pdb2xyj/pdb
PDB entry 2xyj coloured by chain, front view.
PDB entry 2xyj coloured by chain, side view.
PDB entry 2xyj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Sulfonylthiadiazoles with an unusual binding mode as partial dual peroxisome proliferator-activated receptor (PPAR) γ/δ agonists with high potency and in vivo efficacy.
Keil S, Matter H, Schönafinger K, Glien M, Mathieu M, Marquette JP, Michot N, Haag-Diergarten S, Urmann M, Wendler W
ChemMedChem 6 633-53 (2011)
PMID: 21400663

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-169863 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor delta Chains: A, B
Molecule details ›
Chains: A, B
Length: 288 amino acids
Theoretical weight: 33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q03181 (Residues: 165-441; Coverage: 63%)
Gene names: NR1C2, PPARB, PPARD
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
Ligand WLM 4 x WLM
Ligand 1PE 1 x 1PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: C2
Unit cell:
a: 37.749Å b: 112.009Å c: 152.573Å
α: 90° β: 95.71° γ: 90°
R-values:
R R work R free
0.208 0.208 0.25
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Peroxisome proliferator-activated receptors for hypertension.
Usuda et al. (2014)
3 more

8 mentions without citation

Activation of PPARδ: from computer modelling to biological effects.
Kahremany et al. (2015)
7 more