› 5zxi

X-ray diffraction
2.1Å resolution

Co-crystal structure of an Inhibitor in complex with human PPARdelta LBD

Released:
DOI: 10.2210/pdb5zxi/pdb
PDB entry 5zxi coloured by chain, front view.
PDB entry 5zxi coloured by chain, side view.
PDB entry 5zxi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selective PPARĪ“ Modulators Improve Mitochondrial Function: Potential Treatment for Duchenne Muscular Dystrophy (DMD).
Lagu B, Kluge AF, Tozzo E, Fredenburg R, Bell EL, Goddeeris MM, Dwyer P, Basinski A, Senaiar RS, Jaleel M, Tiwari NK, Panigrahi SK, Krishnamurthy NR, Takahashi T, Patane MA
ACS Med Chem Lett 9 935-940 (2018)
PMID: 30258544

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169864 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor delta Chains: A, B
Molecule details ›
Chains: A, B
Length: 275 amino acids
Theoretical weight: 31.43 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q03181 (Residues: 171-441; Coverage: 62%)
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 9LU 2 x 9LU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 39.795Å b: 76.644Å c: 96.663Å
α: 90° β: 97.81° γ: 90°
R-values:
R R work R free
0.22 0.217 0.281
Expression system: Escherichia coli K-12

Quick links

Citations

1 citations in other articles

Structural overview and perspectives of the nuclear receptors, a major family as the direct targets for small-molecule drugs.
Li et al. (2022)