Effect of ethanol on Munc13-1 C1 in Membrane: A Molecular Dynamics Simulation Study.

ABSTRACT:

Background

EtOH has a significant effect on synaptic plasticity. Munc13-1 is an essential presynaptic active zone protein involved in priming the synaptic vesicle and releasing neurotransmitter in the brain. It is a peripheral membrane protein and binds to the activator, diacylglycerol (DAG)/phorbol ester at its membrane-targeting C1 domain. Our previous studies identified Glu-582 of C1 domain as the alcohol-binding residue (Das, J. et al, J. Neurochem., 126, 715-726, 2013).

Methods

Here, we describe a 250 ns molecular dynamics (MD) simulation study on the interaction of EtOH and the activator-bound Munc13-1 C1 in the presence of varying concentrations of phosphatidylserine (PS).

Results

In this study, Munc13-1 C1 shows higher conformational stability in EtOH than in

SUBMITTER: You Y 

PROVIDER: S-EPMC7572713 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature