› 3pba

X-ray diffraction
2.3Å resolution

Crystal structure of PPARgamma ligand binding domain in complex with monosulfate tetrabromo-bisphenol A (MonoTBBPA)

Released:
DOI: 10.2210/pdb3pba/pdb
PDB entry 3pba coloured by chain, front view.
PDB entry 3pba coloured by chain, side view.
PDB entry 3pba coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Characterization of novel ligands of ERα, Erβ, and PPARγ: the case of halogenated bisphenol A and their conjugated metabolites.
Riu A, le Maire A, Grimaldi M, Audebert M, Hillenweck A, Bourguet W, Balaguer P, Zalko D
Toxicol Sci 122 372-82 (2011)
PMID: 21622942

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153368 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor gamma Chains: A, B
Molecule details ›
Chains: A, B
Length: 286 amino acids
Theoretical weight: 32.62 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P37231 (Residues: 224-505; Coverage: 56%)
Gene names: NR1C3, PPARG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
Ligand ZXG 1 x ZXG
Ligand PGO 1 x PGO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: C2
Unit cell:
a: 93.371Å b: 61.564Å c: 119.074Å
α: 90° β: 102.89° γ: 90°
R-values:
R R work R free
0.192 0.188 0.255
Expression system: Escherichia coli

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Citations

22 review citations

Assessing the carcinogenic potential of low-dose exposures to chemical mixtures in the environment: the challenge ahead.
Goodson et al. (2015)
21 more

4 mentions without citation

Optimization of non-ATP competitive CDK/cyclin groove inhibitors through REPLACE-mediated fragment assembly.
Liu et al. (2013)
3 more