› 8b8w

X-ray diffraction
1.86Å resolution

Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a)

Released:
DOI: 10.2210/pdb8b8w/pdb
Model geometry
Fit model/data
PDB entry 8b8w coloured by chain, front view.
PDB entry 8b8w coloured by chain, side view.
PDB entry 8b8w coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Orsi DL, Ferrara SJ, Siegel S, Friberg A, Bouché L, Pook E, Lienau P, Bluck JP, Lemke CT, Akcay G, Stellfeld T, Meyer H, Pütter V, Holton SJ, Korr D, Jerchel-Furau I, Pantelidou C, Strathdee CA, Meyerson M, Eis K, Goldstein JT
Bioorg Med Chem 78 117130 (2022)
PMID: 36542958

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153378 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peroxisome proliferator-activated receptor gamma Chains: A, B
Molecule details ›
Chains: A, B
Length: 279 amino acids
Theoretical weight: 31.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P37231 (Residues: 231-505; Coverage: 55%)
Gene names: NR1C3, PPARG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Nuclear receptor corepressor 2 Chains: C, D
Molecule details ›
Chains: C, D
Length: 23 amino acids
Theoretical weight: 2.64 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9Y618 (Residues: 2332-2354; Coverage: 1%)
Gene names: CTG26, NCOR2

Ligands and Environments

2 bound ligands:
Ligand Q2X 2 x Q2X
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SOLEIL BEAMLINE PROXIMA 2
Spacegroup: P212121
Unit cell:
a: 59.48Å b: 85.31Å c: 119.17Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.222 0.219 0.275
Expression systems:
  • Escherichia coli
  • Not provided

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