Berlin 2018 – wissenschaftliches Programm
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BP: Fachverband Biologische Physik
BP 9: Postersession I
BP 9.7: Poster
Montag, 12. März 2018, 17:30–19:30, Poster A
A computational approach to study signal transduction in coiled-coil structures — •Judit Clopés Llahí1, Jaeoh Shin2, Marcus Jahnel3, 4, Stephan Wolfgang Grill1, 3, 4, and Vasily Zaburdaev1 — 1Max Planck Institute for the Physics of Complex Systems, Nöthnitzer Str. 38, 01187 Dresden, Germany — 2Department of Chemistry, Rice University, Houston 77005 TX, USA — 3Max Planck Institute of Molecular Cell Biology and Genetics, Pfotenhauerstr. 108, 01307 Dresden, Germany — 4Biotechnology Center, Technical University Dresden Tatzberg 47/49, 01309 Dresden, Germany
The Early Endosome Antigen 1 (EEA1) is a fibrous protein mediating the tether and fusion of vesicles in the early endosome. Its functionality is related to an allosteric switch between two configurations with different stiffnesses. Recent experiments have shown that the transition from the stiff to the soft state in EEA1 is triggered right after its interaction with Rab5, a small signalling protein that binds to the free end of EEA1. Structurally, the EEA1 folds as a homodimeric coiled-coil in almost its total length, which spans up to 200 nm. In this work, we propose a computational description of the hydrophobic interactions stabilising a coiled-coil structure that could model the underlying mechanism behind the signal transduction of the Rab5:EEA1 interaction. For this, we mapped the hydrophobic interactions by means of a one-dimensional Frenkel-Kontorova model. Using this description, we analyzed how the energy introduced by a register shift in one of the extremes propagates along the chain.