A structural basis for the activation of peroxisome proliferator-activated receptor gamma (PPAR gamma ) by perfluorooctanoic acid (PFOA).
Pederick, J.L., Frkic, R.L., McDougal, D.P., Bruning, J.B.(2024) Chemosphere 354: 141723-141723
- PubMed: 38494006 
- DOI: https://doi.org/10.1016/j.chemosphere.2024.141723
- Primary Citation of Related Structures:  
8U57 - PubMed Abstract: 
Perfluorooctanoic acid (PFOA) is a widespread environmental pollutant of the perfluoroalkyl substance (PFAS) class that is extremely resistant to environmental and metabolic degradation, leading to bioaccumulation. PFOA exposure has been linked to many health effects including endocrine disruption and metabolic dysregulation, but our understanding of the molecular mechanisms resulting in these outcomes remains incomplete. One target affected by PFOA is the ligand regulated nuclear receptor peroxisome proliferator-activated receptor gamma (PPAR¦Ã) which plays a critical role in controlling metabolic homeostasis through regulating processes such as adipogenesis, glucose homeostasis, inflammation and osteogenesis. It has been previously established that PFOA activates PPAR¦Ã through binding to the PPAR¦Ã ligand binding domain (PPAR¦Ã LBD) leading to increased expression of PPAR¦Ã controlled target genes. However, the mechanism by which PFOA achieves this has remained elusive. Here, we employed a combination of X-ray crystallography and fluorescence polarization assays to provide a structural basis for PFOA mediated activation of PPAR¦Ã via binding to the PPAR¦Ã LBD. Using X-ray crystallography, the cocrystal structure of the PPAR¦Ã LBD:PFOA complex was solved. This revealed that PFOA occupies three distinct sites, two within the PPAR¦Ã LBD and one within the activation function 2 (AF2) on the protein surface. Structural comparison of PFOA binding with previously reported PPAR¦Ã:ligand complexes supports that PFOA activates PPAR¦Ã by a partial agonist mechanism at micromolar concentrations. Fluorescence polarization assays also revealed that PFOA binding to the AF2 is unlikely to occur in a cellular context and confirmed that PFOA behaves as a partial agonist in vitro, weakly recruiting a coactivator peptide to the AF2 of the PPAR¦Ã LBD. This discovery provides an advancement in understanding PFOA mediated regulation of PPAR¦Ã, giving new insight regarding regulation of PPAR¦Ã by PFAS and PFAS substitutes in general and can be applied to the design and assessment of safer PFAS.
Organizational Affiliation: 
Institute for Photonics and Advanced Sensing (IPAS), School of Biological Sciences, The University of Adelaide, SA, Australia.