Combining biophysical approaches available on the B2S Core Facility of UMS2008 IBSLor, protein engineering and targeted molecular dynamics (collaboration Dr I. André, LISBP CNRS-INRA-INSA Toulouse), the Molecular and Structural Enzymology team of IMoPA identified a key molecular element within an enzyme active site, that controls local movements critical for Aldehyde dehydrogenases efficiency.

These enzymes play critical roles in detoxification of compounds like pollutants (cigarette smoke…) or alcohol, and in the biosynthesis of essential metabolites, for instance in the Vitamin A metabolism

Publication : Rahuel-Clermont S, Bchini R, Barbe S, Boutserin S, André I, Talfournier F. Enzyme Active Site Loop Revealed as a Gatekeeper for Cofactor Flip by Targeted Molecular Dynamics Simulations and FRET-Based Kinetics. ACS Catal. 2019 ; 9 ; 1337−1346.

DOI : 10.1021/acscatal.8b03951

HAL : HAL-02022828