Increased Binding of Calcium Ions at Positively Curved Phospholipid Membranes

Magarkar, Aniket; Jurkiewicz, Piotr; Allolio, Christoph; Hof, Martin; Jungwirth, Pavel

doi:https://dx.doi.org/10.1021/acs.jpclett.6b02818

Number of the records: 1

Increased Binding of Calcium Ions at Positively Curved Phospholipid Membranes

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SYSNO ASEP	0474257
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Increased Binding of Calcium Ions at Positively Curved Phospholipid Membranes
Author(s)	Magarkar, Aniket (UOCHB-X) Jurkiewicz, Piotr (UFCH-W)_{RID, ORCID} Allolio, Christoph (UOCHB-X)_ORCID Hof, Martin (UFCH-W)_{RID, ORCID} Jungwirth, Pavel (UOCHB-X)_{RID, ORCID}
Source Title	Journal of Physical Chemistry Letters. - : American Chemical Society - ISSN 1948-7185 Roč. 8, č. 2 (2017), s. 518-523
Number of pages	6 s.
Language	eng - English
Country	US - United States
Keywords	molecular dynamics ; fluorescence spectroscopy ; calcium ; phospholipids
Subject RIV	CF - Physical ; Theoretical Chemistry
OECD category	Physical chemistry
Subject RIV - cooperation	J. Heyrovsky Institute of Physical Chemistry - Physical ; Theoretical Chemistry
R&D Projects	GA16-01074S GA ČR - Czech Science Foundation (CSF)
	GAP207/12/0919 GA ČR - Czech Science Foundation (CSF)
Institutional support	UOCHB-X - RVO:61388963 ; UFCH-W - RVO:61388955
UT WOS	000392560000033
EID SCOPUS	85016157796
DOI	10.1021/acs.jpclett.6b02818
Annotation	Calcium ion is the ubiquitous messenger in cells and plays a key role in neuronal signaling and fusion of synaptic vesicles. These vesicles are typically similar to 20-50 nm in diameter, and thus their interaction with calcium ions cannot be modeled faithfully with a conventional flat membrane bilayer setup. Within our newly developed molecular dynamics simulations setup, we characterize here interactions of the calcium ion with curved membrane interfaces with atomistic detail. The present molecular dynamics simulations together with time-dependent fluorescence shift experiments suggest that the mode and strength of interaction of calcium ion with a phospholipid bilayer depends on its curvature. Potential of mean force calculations demonstrate that the binding of calcium ion to the positively curved side of the bilayer is significantly stronger compared with that to a flat membrane.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418
Year of Publishing	2018

Number of the records: 1