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Biophysical and in silico characterization of NrtA: A protein-based host for aqueous nitrate and nitrite recognition

19 October 2021, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Nitrate and nitrite are key components of the global nitrogen cycle. As such, Nature has evolved proteins as biological supramolecular hosts for the recognition, translocation, and transformation of both nitrate and nitrite. To understand the supramolecular principles that govern these anion-protein interactions, here, we employ a hybrid biophysical and in silico approach to characterize the thermodynamic properties and protein dynamics of NrtA from the cyanobacterium Synechocystis sp. PCC 6803 for the recognition of nitrate and nitrite.

Keywords

aqueous anion recognition
isothermal titration calorimetry
molecular dynamics simulations
nitrate
nitrite
principal component analysis
protein-based host
protein dynamics
supramolecular

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Now Published

Biophysical and in silico characterization of NrtA: a protein-based host for aqueous nitrate and nitrite recognition [opens in a new tab]
Ke Ji, Kiheon Baek, Weicheng Peng, Kevin A. Alberto, Hedieh Torabifard, Steven O. Nielsen, Sheel C. Dodani journal article
Chemical Communications , Volume 58, Issue 7
Online publication date: 2022

Version History

Oct 19, 2021 Version 1

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv-2021-qxsr4
D O I: 10.26434/chemrxiv-2021-qxsr4 [opens in a new tab]

Funding

National Institute of General Medical Sciences
R35GM128923
Welch Foundation
AT-1918-20170325, AT-2060-20210327
The University of Texas at Dallas

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) declare that they have sought and gained approval from the relevant ethics committee/IRB for this research and its publication.

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