• SATYAJIT KHATUA

      Articles written in Journal of Chemical Sciences

    • Unfolding intermediates of the mutant His-107-Tyr of human carbonic anhydrase II

      SRABANI TARAPHDER PUSPITA HALDER TANMOY KUMAR PAUL SATYAJIT KHATUA

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      The mutant His-107-Tyr of human carbonic anhydrase II (HCA II) is highly unstable and has long been linked to a misfolding disease known as carbonic anhydrase deficiency syndrome (CADS). High temperature unfolding trajectories of the mutant are obtained from classical molecular dynamics simulationsand analyzed in a multi-dimensional property space.When projected along a reaction coordinate these trajectories yield four distinguishable sets of structures that map qualitatively to folding intermediates of this mutant postulated earlier from experiments.We present in this article a detailed analysis of representative structures and proton transfer activity of these intermediates. It is also suggested that under suitable experimental conditions, these intermediates may be distinguished using circular dichroism (CD) spectroscopy.

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