Computational
prediction of the potential L-type Lectin Receptor Kinases in Extracellular Adenosine
Triphosphate binding
Pham Vy H., Tran Vu Q. and Pham An Q.
Res. J. Biotech.; Vol. 20(5); 175-181;
doi: https://doi.org/10.25303/205rjbt1750181; (2025)
Abstract
Plants can perceive extracellular adenosine triphosphate (eATP) as a signaling molecule
via purinergic 2 kinase (P2K) receptors. However, (1) how eATP binds to these receptors
is not well understood and (2) apart from AtP2K1 and AtP2K2, which have been experimentally
confirmed in Arabidopsis thaliana, what other plant species besides Brassicaceae
perceive eATP? Our report visualizes eATP in active binding sites of P2K1 and P2K2
compared with mutant p2k1His99Ala and p2k2His99Ala. Tomato, Solanum lycopersicum,
was used to search for homologous eATP receptors outside Brassicaceae. Given that
His99 at the active binding site is a necessary condition, eight SlLecRKs, conserving
His99 with AtP2Ks, were modeled and examined for their ability to interact with
eATP. Our model shows that eATP binds to another favorable site if the receptor
active binding site is not compatible.
In addition, Solyc09g012000 and Solyc09g011060 are able to interact with eATP at
energies of -8.187 Kcal/mol and -8.306 Kcal/mol respectively. Our results show the
potential of computational 3D modeling in explaining how ligands bind to their receptors,
as well as predicting receptor homologues.
