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Molecular Modeling and Dynamics of Bioinorganic Systems pp 391–417Cite as

Molecular Dynamics Study of H93G Sperm Whale Deoxymyoglobin Mutants with Exogenous Proximal Ligands

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Part of the book series: NATO ASI Series ((ASHT,volume 41))

Abstract

Life is based on organic molecules. However, many crucial biological functions are regulated by bioinorganic compounds. Transition metal ions catalyze biochemical reactions, e.g. as cofactors in enzyme reactions, and they are important in transport proteins as reaction centers for the reversible binding of small ligands. Since the discovery of heme proteins the iron coordinated by the porphyrin ring and embedded in the specific protein environment was the subject of extensive studies. Of particular interest is the very precise regulation of the reactivity of the five-coordinate metalcenter of hemoglobins (Hb) towards diatomic ligands [1]. The ability of Hbs to discriminate between a “good” oxygen and a “bad” (toxic) carbon monoxide has puzzled researchers for many years [2.3] and many interesting theories were tested experimentally [4] and computer modeled theoretically [5].

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Authors and Affiliations

  1. Institute of Physics, N. Copernicus University, ul. Grudziądzka 5, 87100, Toruń, Poland

    Wiesław Nowak

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  1. Wiesław Nowak
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Editors and Affiliations

  1. Department of Chemistry, University of Florence, Florence, Italy

    Lucia Banci

  2. Anorganisch-Chemisches Institut, Universität Heidelberg, Heidelberg, Germany

    Peter Comba

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Nowak, W. (1997). Molecular Dynamics Study of H93G Sperm Whale Deoxymyoglobin Mutants with Exogenous Proximal Ligands. In: Banci, L., Comba, P. (eds) Molecular Modeling and Dynamics of Bioinorganic Systems. NATO ASI Series, vol 41. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-5171-9_18

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