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

19 October 2021, Version 1
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

Supplementary materials

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