European Commission, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Universidad Complutense de Madrid, Universidad Autónoma de Madrid, Real Colegio Complutense, Robles-Martín, Ana, Amigot-Sánchez, Rafael, Fernández-López, Laura, González-Alfonso, José L., Roda, Sergi, Alcolea-Rodríguez, Víctor, Heras-Márquez, Diego, Almendral, David, Coscolín, Cristina, Plou Gasca, Francisco José, Portela, Raquel, Bañares, Miguel A., Martínez-del-Pozo, Álvaro, García-Linares, Sara, Ferrer, Manuel, Guallar, Victor, European Commission, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Universidad Complutense de Madrid, Universidad Autónoma de Madrid, Real Colegio Complutense, Robles-Martín, Ana, Amigot-Sánchez, Rafael, Fernández-López, Laura, González-Alfonso, José L., Roda, Sergi, Alcolea-Rodríguez, Víctor, Heras-Márquez, Diego, Almendral, David, Coscolín, Cristina, Plou Gasca, Francisco José, Portela, Raquel, Bañares, Miguel A., Martínez-del-Pozo, Álvaro, García-Linares, Sara, Ferrer, Manuel, and Guallar, Victor
The identification or design of biocatalysts to mitigate the accumulation of plastics, including sub-micro- and nano-sized polyethylene terephthalate (nPET), is becoming a global challenge. Here we computationally incorporated two hydrolytic active sites with geometries similar to that of Idionella sakaiensis PET hydrolase, to fragaceatoxin C (FraC), a membrane pore-forming protein. FraCm1/m2 could be assembled into octameric nanopores (7.0 nm high × 1.6–6.0 nm entry), which deconstructed (40 °C, pH 7.0) nPET from GoodFellow, commodities and plastic bottles. FraCm1 and FraCm2 degrade nPET by endo- and exo-type chain scission. While FraCm1 produces bis(2-hydroxyethyl) terephthalate as the main product, FraCm2 yields a high diversity of oligomers and terephthalic acid. Mechanistic and biochemical differences with benchmark PET hydrolases, along with pore and nPET dynamics, suggest that these pore-forming protein catalytic nanoreactors do not deconstruct macro-PET but are promising in nanotechnology for filtering, capturing and breaking down nPET, for example, in wastewater treatment plants. [Figure not available: see fulltext.]. © 2023, The Author(s).