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Computational Design of Metalloproteins

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Protein Design

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1216))

Abstract

A number of design strategies exist for the development of novel metalloproteins. These strategies often exploit the inherent symmetry of metal coordination and local topology. Computational design of metal binding sites in flexible regions of proteins is challenging as the number of conformational degrees of freedom is significantly increased. Additionally, without pre-organization of the primary shell ligands by the protein fold, metal binding sites can rearrange according to the coordination constraints of the metal center. Examples of metal incorporation into existing folds, full fold design exploiting symmetry, and fold design in asymmetric scaffolds are presented.

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Acknowledgements

This work was supported by NIH R01 GM-089949.

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Authors and Affiliations

  1. Department of Biochemistry and Molecular Biology, Center for Advanced Biotechnology and Medicine, Robert Wood Johnson Medical School, University of Medicine and Dentistry of New Jersey, 679 Hoes Lane West, Piscataway, NJ, 08854, USA

    Avanish S. Parmar, Douglas Pike & Vikas Nanda

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  1. Avanish S. Parmar
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  2. Douglas Pike
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  3. Vikas Nanda
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Correspondence to Vikas Nanda .

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  1. Department of Chemistry, University of Basel, Switzerland

    Valentin Köhler

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Parmar, A.S., Pike, D., Nanda, V. (2014). Computational Design of Metalloproteins. In: Köhler, V. (eds) Protein Design. Methods in Molecular Biology, vol 1216. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-1486-9_12

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  • DOI: https://doi.org/10.1007/978-1-4939-1486-9_12

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  • Publisher Name: Humana Press, New York, NY

  • Print ISBN: 978-1-4939-1485-2

  • Online ISBN: 978-1-4939-1486-9

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