др Стефан Миленковић

20. децембра 2019.

У оквиру семинара Центра за изучавање комплексних система Института за физику у Београду, у петак, 27. децембра 2019. године у 11 часова у читаоници библиотеке „Др Драган Поповић“, др Стефан Миленковић (Универзитет у Каљарију, Италија) одржаће предавање:

Sodium transport in mammalian two-pore channels


Although being in focus in the last decades, two-pore channels (TPCs)
remain partially comprehended. Their importance for vacuolar (plants)
and organellar (animals) function highlights them as a very attractive
to study, both theoretically and experimentally. A particular boost for
theoretical examinations has been made with recent, high-resolution
x-ray and cryo-EM structures. These findings have enabled for efficient
and precise computational studies at atomistic level. Here we report a
set of simulations performed on a mammalian TPC1, a voltage and ligand
gated sodium selective channel. The simulations were used for a thorough
analysis of the TPC1 behavior in presence and absence of ligand
(PtdIns(3,5)P2), with a special accent on the TPC1’s bottleneck,
hydrophobic (HF) gate. Moreover, we have described a potential passage
of sodium ions through the HF gate by means of metadynamics (MTD)
simulations and estimated the sodium conductance. Estimated
computationally, this conductance is in excellent agreement with its
experimental value.