Multistep Current Signal in Protein Translocation through Graphene Nanopores
Type
ArticleAuthors
Bonome, Emma LetiziaLepore, Rosalba
Raimondo, Domenico
Cecconi, Fabio
Tramontano, Anna
Chinappi, Mauro
KAUST Grant Number
KUK-I1-012-43Date
2015-04-28Online Publication Date
2015-04-28Print Publication Date
2015-05-07Permanent link to this record
http://hdl.handle.net/10754/598919
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© 2015 American Chemical Society. In nanopore sensing experiments, the properties of molecules are probed by the variation of ionic currents flowing through the nanopore. In this context, the electronic properties and the single-layer thickness of graphene constitute a major advantage for molecule characterization. Here we analyze the translocation pathway of the thioredoxin protein across a graphene nanopore, and the related ionic currents, by integrating two nonequilibrium molecular dynamics methods with a bioinformatic structural analysis. To obtain a qualitative picture of the translocation process and to identify salient features we performed unsupervised structural clustering on translocation conformations. This allowed us to identify some specific and robust translocation intermediates, characterized by significantly different ionic current flows. We found that the ion current strictly anticorrelates with the amount of pore occupancy by thioredoxin residues, providing a putative explanation of the multilevel current scenario observed in recently published translocation experiments.Citation
Bonome EL, Lepore R, Raimondo D, Cecconi F, Tramontano A, et al. (2015) Multistep Current Signal in Protein Translocation through Graphene Nanopores. J Phys Chem B 119: 5815–5823. Available: http://dx.doi.org/10.1021/acs.jpcb.5b02172.Sponsors
This research used the resources of the Supercomputing Laboratory at King Abdullah University of Science & Technology (KAUST) in Thuwal, Saudi Arabia and of the CINECA (GRAPUNA project). Funding: KAUST Award No. KUK-I1-012-43 made by King Abdullah University of Science and Technology (KAUST).Publisher
American Chemical Society (ACS)PubMed ID
25866995ae974a485f413a2113503eed53cd6c53
10.1021/acs.jpcb.5b02172
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