› 6ilq

X-ray diffraction
2.41Å resolution

Crystal structure of PPARgamma with compound BR101549

Released:
DOI: 10.2210/pdb6ilq/pdb
Model geometry
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PDB entry 6ilq coloured by chain, front view.
PDB entry 6ilq coloured by chain, side view.
PDB entry 6ilq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of BR101549 as a lead candidate of non-TZD PPARγ agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR.
Choung W, Jung HJ, Yang D, Nam EH, Choi H, Lee BR, Park M, Jang SM, Lim JS, Kim WS, Kim KH, Chin J, Jung K, Lee G, Hong E, Jang TH, Myung J, Kim SH
Bioorg Med Chem Lett 29 631-637 (2019)
PMID: 30594432

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153375 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peroxisome proliferator-activated receptor gamma Chain: A
Molecule details ›
Chain: A
Length: 272 amino acids
Theoretical weight: 31.09 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P37231 (Residues: 234-505; Coverage: 54%)
Gene names: NR1C3, PPARG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Nuclear receptor coactivator 1 Chain: B
Molecule details ›
Chain: B
Length: 25 amino acids
Theoretical weight: 2.81 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15788 (Residues: 676-700; Coverage: 2%)
Gene names: BHLHE74, NCOA1, SRC1
Sequence domains: Steroid receptor coactivator

Ligands and Environments

1 bound ligand:
Ligand AE0 1 x AE0
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: PAL/PLS BEAMLINE 6B
Spacegroup: C2221
Unit cell:
a: 53.647Å b: 85.257Å c: 122.844Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.216 0.304
Expression systems:
  • Escherichia coli
  • Not provided

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Citations

1 mention without citation

Association of epilepsy, anti-epileptic drugs (AEDs), and type 2 diabetes mellitus (T2DM): a population-based cohort retrospective study, impact of AEDs on T2DM-related molecular pathway, and via peroxisome proliferator-activated receptor γ transactivation.
Tien et al. (2023)

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