Iodotyrosine deiodinase, also called as iodotyrosine dehalogenase 1(IYD) is a type of deiodinase enzyme that removes iodide by removing it from mono and di-iodinated tyrosine residues in the thyroid gland. Using first-principles calculations, here we presented the rate of dehalogenation and thus, can range it as per our requirements. The rate of [I]-iodide release from [I]-DIT (Di-iodotyrosine) was determined by a discontinuous assay. Values of the equilibrium constant for the catalytic reaction (kcat) were calculated based on protein concentration as opposed to the functional assignment of a flavoprotein (FMN) occupancy since excess FMN is present in the activity assay. We have compared our results with previously published experimental results (Mol. BioSyst., 2014, 10, 86) and it is good agreement with our theoretical finding. The successful identification of a specialized enzyme such as IYD in various organisms demonstrates the importance of experimental data to support FMN. IYD revealed an origin that is much more ancient than would be anticipated by its iodide salvage activity in mammals and may indicate requirements for iodide or iodinated molecules in most multicellular organisms.

First-principles insight into catalytic process of iodotyrosine deiodinase: A thyroid hormone

254th National Meeting (2017)

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