› 2q5g

X-ray diffraction
2.7Å resolution

Ligand binding domain of PPAR delta receptor in complex with a partial agonist

Released:
DOI: 10.2210/pdb2q5g/pdb
PDB 2q5g coloured by chain and viewed from the front.
PDB 2q5g coloured by chain and viewed from the side.
PDB 2q5g coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Design of a partial PPARdelta agonist.
Pettersson I, Ebdrup S, Havranek M, Pihera P, Kor��nek M, Mogensen JP, Jeppesen CB, Johansson E, Sauerberg P
Bioorg. Med. Chem. Lett. 17 4625-9 (2007)
PMID: 17560785

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo tetramer
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor delta Chains: A, B
Molecule details ›
Chains: A, B
Length: 283 amino acids
Theoretical weight: 32.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: C2
Unit cell:
a: 112.577Å b: 65.603Å c: 101.149Å
α: 90° β: 124.05° γ: 90°
R-values:
R R work R free
0.229 0.225 0.305
Expression system: Escherichia coli

Quick links

Citations

2 review citations

The PPAR Ω Pocket: Renewed Opportunities for Drug Development.
Kaupang et al. (2020)
1 more

1 mention without citation

Knowledge-Based Methods To Train and Optimize Virtual Screening Ensembles.
Swift et al. (2016)