Atomistic level characterisation of ssDNA translocation through the E. coli proteins CsgG and CsgF for nanopore sequencing
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Published version
Author(s)
Type
Journal Article
Abstract
Two proteins of the Escherichia coli membrane protein complex, CsgG and CsgF, are studied as proteinaceous nanopores for DNA sequencing. It is highly desirable to control the DNA as it moves through the pores, this requires characterisation of DNA translocation and subsequent optimization of the pores. In order to inform protein engineering to improve the pores, we have conducted a series of molecular dynamics simulations to characterise the mechanical strength and conformational dynamics of CsgG and the CsgG-CsgF complex and how these impact ssDNA, water and ion movement. We find that the barrel of CsgG is more susceptible to damage from external electric fields compared to the protein vestibule. Furthermore, the presence of CsgF within the CsgG-CsgF complex enables the complex to withstand higher electric fields. We find that the eyelet loops of CsgG play a key role in both slowing the translocation rate of DNA and modulating the conductance of the pore. CsgF also impacts the DNA translocation rate, but to a lesser degree than CsgG.
Date Issued
2021-12-03
Date Acceptance
2021-11-12
Citation
Computational and Structural Biotechnology Journal, 2021, 19, pp.6417-6430
ISSN
2001-0370
Publisher
Elsevier
Start Page
6417
End Page
6430
Journal / Book Title
Computational and Structural Biotechnology Journal
Volume
19
Copyright Statement
© 2021 The Authors. Published by Elsevier B.V. on behalf of Research Network of Computational and
Structural Biotechnology. This is an open access article under the CC BY-NC-ND license (http://creative-
commons.org/licenses/by-nc-nd/4.0/).
Structural Biotechnology. This is an open access article under the CC BY-NC-ND license (http://creative-
commons.org/licenses/by-nc-nd/4.0/).
Identifier
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000731411300004&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=a2bf6146997ec60c407a63945d4e92bb
Subjects
ACID
ALPHA-HEMOLYSIN
Biochemistry & Molecular Biology
Biotechnology & Applied Microbiology
CsgG
Curli
CURLI
DNA sequencing
GUI
HOMOPOLYMERS
Life Sciences & Biomedicine
Molecular dynamics
MOLECULAR-DYNAMICS SIMULATIONS
Nanopore
ORIENTATION DISCRIMINATION
SCALE
Science & Technology
SINGLE-STRANDED-DNA
Publication Status
Published
Date Publish Online
2021-11-18