Annotating Ion Channel Pores: Structures, Hydrophobicity and the Threshold for Permeation
نویسندگان
چکیده
منابع مشابه
Importance of water polarization for ion permeation in narrow pores
0009-2614/$ see front matter 2009 Elsevier B.V. A doi:10.1016/j.cplett.2009.06.069 * Corresponding author. Fax: +61 2 9351 7726. E-mail address: [email protected] (S. Ku Molecular dynamics (MD) simulations are mostly performed using non-polarizable force fields. This approximation works in homogeneous systems but there are situations – such as pores, cavities and interfaces – where an ...
متن کاملIon permeation through neuronal nAChR ion channel
Alzheimer’s dementia is related to loss of inter-neuron communication by nicotinic acetylcholine receptors (nAChR) at post synaptic neurons, and successful therapy approaches rely e.g. on modulations of response signals initiated by ion flux through the receptor integrated ion channel. We have evaluated Umbrella Sampling (US) and Steered Molecular Dynamics (SMD) pulling for calculation of the p...
متن کاملThe CFTR ion channel: gating, regulation, and anion permeation.
Cystic fibrosis transmembrane conductance regulator (CFTR) is an ATP-gated anion channel with two remarkable distinctions. First, it is the only ATP-binding cassette (ABC) transporter that is known to be an ion channel--almost all others function as transport ATPases. Second, CFTR is the only ligand-gated channel that consumes its ligand (ATP) during the gating cycle--a consequence of its enzym...
متن کاملThree-Dimensional Brownian Dynamics Simulator for the Study of Ion Permeation through Membrane Pores.
A three-dimensional numerical simulator based on Brownian dynamics (BD) for the study of ion transport through membrane pores is presented. Published BD implementations suffer from severe shortcomings in accuracy and efficiency. Such limitations arise largely from (i) the nonrigorous treatment of unphysical ion configurations; (ii) the assumption that ion motion occurs always in the high fricti...
متن کاملBiophysics, pathophysiology, and pharmacology of ion channel gating pores
Voltage sensor domains (VSDs) are a feature of voltage gated ion channels (VGICs) and voltage sensitive proteins. They are composed of four transmembrane (TM) segments (S1-S4). Currents leaking through VSDs are called omega or gating pore currents. Gating pores are caused by mutations of the highly conserved positively charged amino acids in the S4 segment that disrupt interactions between the ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2020
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2019.11.1565