Atomic resolution crystal structures, EXAFS, and quantum chemical studies of rusticyanin and its two mutants provide insight into its unusual properties

Biochemistry
Mark L BarrettS Samar Hasnain

Abstract

Rusticyanin from the extremophile Thiobacillus ferrooxidans is a blue copper protein with unusually high redox potential and acid stability. We present the crystal structures of native rusticyanin and of its Cu site mutant His143Met at 1.27 and 1.10 A, respectively. The very high resolution of these structures allows a direct comparison with EXAFS data and with quantum chemical models of the oxidized and reduced forms of the proteins, based upon both isolated and embedded clusters and density functional theory (DFT) methods. We further predict the structure of the Cu(II) form of the His143Met mutant which has been experimentally inaccessible due to its very high redox potential. We also present metrical EXAFS data and quantum chemical calculations for the oxidized and reduced states of the Met148Gln mutant, this protein having the lowest redox potential of all currently characterized mutants of rusticyanin. These data offer new insights into the structural factors which affect the redox potential in this important class of proteins. Calculations successfully predict the structure and the order of redox potentials for the three proteins. The calculated redox potential of H143M ( approximately 400 mV greater than native rusticyan...Continue Reading

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Citations

Mar 5, 2008·Journal of the American Chemical Society·Yong Zhang, Eric Oldfield
Mar 21, 2009·Proceedings of the National Academy of Sciences of the United States of America·Katsuko SatoChristopher Dennison
Jun 3, 2010·Acta Crystallographica. Section F, Structural Biology and Crystallization Communications·Shabir NajmudinMaria J Romão
Aug 7, 2009·The Journal of Chemical Physics·Dejun Si, Hui Li
Oct 10, 2009·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Daniel J Kosman
Apr 9, 2015·Chemical Reviews·Lung Wa ChungKeiji Morokuma
Sep 4, 2015·Archives of Biochemistry and Biophysics·Sergio Alejo Pérez-HenarejosAntonio Donaire
Jul 19, 2008·Current Opinion in Structural Biology·Richard W Strange, Martin C Feiters
Jun 9, 2016·Physical Chemistry Chemical Physics : PCCP·Biswajit Sadhu, Mahesh Sundararajan
Mar 29, 2019·World Journal of Microbiology & Biotechnology·Yue ZhanLei Yan
May 29, 2020·Journal of Biomolecular Structure & Dynamics·Roghayeh JafarpourFaramarz Mehrnejad
Mar 2, 2021·Journal of Molecular Graphics & Modelling·Mahnaz ShojapourMarzieh Dehghan Shasaltaneh
Dec 17, 2009·Inorganic Chemistry·Peifeng Su, Hui Li

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