PDBe 2gtk

X-ray diffraction
2.1Å resolution

Structure-based Design of Indole Propionic Acids as Novel PPARag CO-Agonists

Released:
Source organism: Homo sapiens

Function and Biology Details

Reaction catalysed:
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine. 
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nuclear receptor coactivator 1 Chain: B
Molecule details ›
Chain: B
Length: 10 amino acids
Theoretical weight: 1.16 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15788 (Residues: 631-640; Coverage: 1%)
Gene names: BHLHE74, NCOA1, SRC1
Peroxisome proliferator-activated receptor gamma Chain: A
Molecule details ›
Chain: A
Length: 271 amino acids
Theoretical weight: 31 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P37231 (Residues: 235-505; 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:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR571
Spacegroup: P212121
Unit cell:
a: 54.239Å b: 68.319Å c: 87.952Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.195 0.261
Expression systems:
  • Not provided
  • Escherichia coli