Lecture series Translational Bioinformatics and Systems Biomedicine "MODELING THE EFFECT OF POST-TRANSLATIONAL MODIFICATIONS ON INTERACTIONS IN LARGE EUKARYOTIC PROTEIN COMPLEXES" - Prof Vera Van Noort
07/02/2019 15:00 to 07/02/2019 18:00 (Europe/Luxembourg)
Prof Vera Van Noort is Professor Computational Systems Biology, Centre of Microbial and Plant Genetics, Leuven, Belgium.
Protein post-translational modifications (PTMs) have an indispensable role in living cells as they expand chemical diversity of the proteome, providing a fine regulatory layer that can govern protein-protein interactions in changing environmental conditions. We have investigated the effects of acetylation and phosphorylation on the stability of subunit interactions in purified Saccharomyces cerevisiae complexes, namely exosome, RNA polymerase II and proteasome. I will present a computational framework that consists of conformational sampling of the complexes by molecular dynamics simulations, followed by Gibbs energy calculation by MM/GBSA. After benchmarking against published tools such as FoldX and Mechismo, we could apply the framework for the first time on large protein assemblies with the aim of predicting the effects of PTMs located on interfaces of subunits on binding stability. We discovered that acetylation predominantly contributes to subunits’ interactions in a locally stabilizing manner, while phosphorylation shows the opposite effect. Even though the local binding contributions of PTMs may be predictable to an extent, the long range effects and overall impact on subunits’ binding were only captured because of our dynamical approach. Employing the developed, widely applicable workflow on other large systems will shed more light on the roles of PTMs in protein complex formation.
15.00 - 16.00: LECTURE
University of Luxembourg
Maison des Sciences Humaines
11, Porte des Sciences
17.00 - 18.00: 'meet THE SPEAKER'
University of Luxembourg
Biotech 2 Building
6, avenue du Swing
Riken Conference Room (ground floor)
Registration required for the 'Meet the Speaker' - send us an email
About the Lecture & Workshop series - TRANSLATIONAL BIOINFORMATICS AND SYSTEMS BIOMEDICINE
The LIH lecture and workshops series in Translational Bioinformatics and Systems Biomedicine, supported by the FNR and jointly organized with the University of Luxembourg, are gathering internationally
This lecture will be followed by a workshop especially dedicated to early-stage researchers.
Attendance to the lecture and workshop are free of charge. Should you be interested in registering for the workshop, please feel free to do so by sending us an email.