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Membrane-binding mechanism of the EEA1 FYVE domain revealed by multi-scale molecular dynamics simulations

Abstract:

Early Endosomal Antigen 1 (EEA1) is a key protein in endosomal trafficking and is implicated in both autoimmune and neurological diseases. The C-terminal FYVE domain of EEA1 binds endosomal membranes, which contain phosphatidylinositol-3-phosphate (PI(3)P). Although it is known that FYVE binds PI(3)P specifically, it has not previously been described of how FYVE attaches and binds to endosomal membranes. In this study, we employed both coarse-grained (CG) and atomistic (AT) molecular dynamics...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1371/journal.pcbi.1008807

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Institution:
University of Oxford
Division:
MSD
Department:
Biochemistry
Role:
Author
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Name:
Wellcome Trust
Grant:
208361/Z/17/Z
More from this funder
Name:
Biotechnology & Biological Sciences Research Council
Grant:
BB/R00126X/1
Publisher:
Public Library of Science
Journal:
PLoS Computational Biology More from this journal
Volume:
17
Issue:
9
Article number:
e1008807
Publication date:
2021-09-23
Acceptance date:
2021-09-14
DOI:
EISSN:
1553-734X
Language:
English
Keywords:
Pubs id:
1194110
Local pid:
pubs:1194110
Deposit date:
2021-09-15

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