› 6jey

X-ray diffraction
2.2Å resolution

Covalent bond formation between ynone moiety of synthetic fatty acid and hPPARg-LBD

Released:
DOI: 10.2210/pdb6jey/pdb
Model geometry
Fit model/data
PDB entry 6jey coloured by chain, front view.
PDB entry 6jey coloured by chain, side view.
PDB entry 6jey coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Kojima H, Fujita Y, Takeuchi R, Ikebe Y, Ohashi N, Yamamoto K, Itoh T
Cell Chem Biol 27 334-349.e11 (2020)
PMID: 31991094

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-153379 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor gamma Chains: A, B
Molecule details ›
Chains: A, B
Length: 276 amino acids
Theoretical weight: 31.45 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P37231 (Residues: 232-505; Coverage: 54%)
Gene names: NR1C3, PPARG
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

1 bound ligand:
Ligand EJL 3 x EJL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: C2
Unit cell:
a: 92.89Å b: 61.17Å c: 118.48Å
α: 90° β: 102.76° γ: 90°
R-values:
R R work R free
0.239 0.235 0.31
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Selective and Effective: Current Progress in Computational Structure-Based Drug Discovery of Targeted Covalent Inhibitors.
Bianco et al. (2020)
1 more