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Title

A fragment screening experience against ABA-receptors possibilities the definition of key residues that trigger ABA signaling

AuthorsInfantes, L. ; Cornaciu, Irina; Hoffmann, G.; Gutiérrez-Sánchez, Álvaro; Márquez, José A.; Albert, Armando
Issue Date6-Sep-2019
PublisherAssociazione Italiana Cristallografia
Citation5th Meeting of the Italian (AIC) and Spanish Crystallographic (GE3C) Associations (2019)
AbstractAbscisic acid (ABA) is the main phytohormone involved in adaptive crop responses to salinity and drought. SlPYL1 is a Solanum Lycopersicum (tomato) ABA receptor of the PYR/PYL/RCAR family. It presents an oligomeric state of dimers in solution. Upon ABA binding, dimeric PYLs undergo a conformational change in two loops at ABA binding site named latch and gate. That leads to dimer dissociation and, to the interaction with the protein phosphatases 2C and their inactivation [1] Crystallization of SlPYL1 in absence and presence of ABA produces isomorphs crystals that present the same space group with a rearrangement in the cell axes dimensions that leads to an increase of 400Å3 in the unit cell volume of the ABA-SlPYL1 complex. The unit cell increase is a consequence of a twist between the molecules that form the homo-dimers due to the gate loop rearrangement. The same outcomes can be observed when the ABA-SlPYL1 complex is formed through the soaking of the apoenzyme crystals in an ABA solution. Solutions of more than 10 hundred molecular fragments have been used for soaking SlPYL1 crystals and, X-ray data have been collected and analysed for all of them through the platform ¿High-Throughput automated ligand screening at EMBL-ESRF¿ funded by iNext project.a Results show that some of the fragments reproduce the effect observed for ABA-SlPYL1 complex and they have provided insight to establish the molecular bases for synchronized changes of the gate loop movement, the dimer twist, and the unit cell increase.
DescriptionMISCA2019, Napoli, September 4th to 7th 2019. - http://cristallografia.org/congresso2019/
URIhttp://hdl.handle.net/10261/210030
Appears in Collections:(IQFR) Comunicaciones congresos
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