作者
Rozita Laghaei, William Kowallis, Deborah G Evans, Rob D Coalson
发表日期
2014/9/4
期刊
The Journal of Physical Chemistry A
卷号
118
期号
35
页码范围
7442-7453
出版商
American Chemical Society
简介
Influx of ferrous ions from the cytoplasm through 3-fold pores in the shell of ferritin protein is computed using a 3-dimensional Poisson–Nernst–Planck electrodiffusion model, with inputs such as the pore structure and the diffusivity profile of permeant Fe2+ ions extracted from all-atom molecular dynamics (MD) simulations. These calculations successfully reproduce experimental estimates of the transit time of Fe2+ through the ferritin coat, which is on the millisecond time scale and hence much too long to be directly simulated via all-atom MD. This is also much longer than the typical time scale for ion transit in standard membrane spanning ion channels whose pores bear structural similarity to that of the 3-fold ferritin pore. The slow time scale for Fe2+ transport through ferritin pores is traced to two features that distinguish the ferritin pore system from standard ion channels, namely, (i) very low concentration of …
引用总数
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学术搜索中的文章
R Laghaei, W Kowallis, DG Evans, RD Coalson - The Journal of Physical Chemistry A, 2014