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Effect of electrostatic interactions on the formation of proton transfer pathways in human carbonic anhydrase II

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Abstract

We report here a theoretical study on the effect of electrostatic interactions on the formation of dynamical, proton-conducting hydrogen-bonded networks in the protein HCA II. The conformational fluctuations of His-64 is found to contribute crucially to the mechanism of such path formation irrespective of the way electrostatic interactions are modelled.

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  1. Department of Chemistry, Indian Institute of Technology, Kharagpur, 721 302, India

    Arijit Roy & Srabani Taraphder

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  1. Arijit Roy
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  2. Srabani Taraphder
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Correspondence to Srabani Taraphder.

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Roy, A., Taraphder, S. Effect of electrostatic interactions on the formation of proton transfer pathways in human carbonic anhydrase II. J Chem Sci 119, 545–552 (2007). https://doi.org/10.1007/s12039-007-0068-7

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  • DOI: https://doi.org/10.1007/s12039-007-0068-7

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