Changing the charge distribution of beta-helical-based nanostructures can provide the conditions for charge transfer.

Changing the charge distribution of beta-helical-based nanostructures can provide the conditions for charge transfer. Research Abstract Details 

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Changing the charge distribution of beta-helical-based nanostructures can provide the conditions for charge transfer. Abstract Text:

Nurit Haspel,David Zanuy,Jie Zheng,Carlos Aleman,Haim Wolfson,Ruth Nussinov,

In this work we present a computational approach to the design of nanostructures made of structural motifs taken from left-handed beta-helical proteins. Previously, we suggested a structural model based on the self-assembly of motifs taken from Escherichia coli galactoside acetyltransferase (Protein Data Bank 1krr, chain A, residues 131-165, denoted krr1), which produced a very stable nanotube in molecular dynamics simulations. Here we modify this model by changing the charge distribution in the inner core of the system and testing the effect of this change on the structural arrangement of the construct. Our results demonstrate that it is possible to generate the proper conditions for charge transfer inside nanotubes based on assemblies of krr1 segment. The electronic transfer would be achieved by introducing different histidine ionization states in selected positions of the internal core of the construct, in addition to specific mutations with charged amino acids that altogether will allow the formation of coherent networks of aromatic ring stacking, salt-bridges, and hydrogen bonds.

Changing the charge distribution of beta-helical-based nanostructures can provide the conditions for charge transfer. Publishing Authors By Initials

N Haspel,D Zanuy,J Zheng,C Aleman,H Wolfson,R Nussinov,

For similar biochemical phenomena, metabolism, and nutrition: biochemical phenomena: molecular structure: molecular conformation: protein conformation research abstracts see: biochemical phenomena, metabolism, and nutrition: biochemical phenomena: molecular structure: molecular conformation: protein conformation research

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Changing the charge distribution of beta-helical-based nanostructures can provide the conditions for charge transfer. Journal Published:

PUBLICATION TYPE: Research Support, N.I.H., Intr

Journal: Biophysical journal

VOLUME: 93

Page Numbers: 245-53

Journal Abbreviation: Biophys. J.

ISSN: 0006-3495

DAY: 6

MONTH: 04

YEAR: 2007

Changing the charge distribution of beta-helical-based nanostructures can provide the conditions for charge transfer. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 370626

Changing the charge distribution of beta-helical-based nanostructures can provide the conditions for charge transfer. Keywords Mesh Terms:

KEYWORDS: Protein Conformation

MESH TERMS: ultrastructure

Chemical & Substance for Abstract: Changing the charge distribution of beta-helical-based nanostructures can provide the conditions for charge transfer. Information

Substance Name: galactoside acetyltransferase

Registry Number: EC 2.3.1.18

Grant and Affiliation Information for Changing the charge distribution of beta-helical-based nanostructures can provide the conditions for charge transfer.

AFFILIATION: School of Computer Science Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel.

Country: United States

AGENCY: United States NCI

GRANT: N01-CO12400

ACRONYM: CO

MEDLINETA: Biophys J

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