Abstract
Mucopolysaccharidosis IV A (MPS IV A) is a lysosomal storage disease produced by the deficiency of N-acetylgalactosamine-6-sulfate sulfatase (GALNS), which is involved in the catabolism of keratan sulfate and chondroitin-6-sulfate. In the present study we performed a computational analysis of active cavity of GALNS from human and other eight species, as well as their interaction with the natural ligands. The modeled enzymes showed a highly conserved structure, although differences in the sizes of the active cavity and affinity energy for the ligands were observed among the studied GALNS. The results could be associated to the molecular evolution of the catalytic cavity and differences in the complexity of the substrate produced by the species. These results could have a significant impact towards the understanding of the molecular bases of MPS IV A and the development of efficient treatment alternatives.
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Olarte-Avellaneda, S., Rodríguez-López, A., Alméciga-Díaz, C.J. (2014). In-silico Analysis of the Active Cavity of N-Acetylgalactosamine-6-Sulfate Sulfatase in Eight Species. In: Castillo, L., Cristancho, M., Isaza, G., Pinzón, A., Rodríguez, J. (eds) Advances in Computational Biology. Advances in Intelligent Systems and Computing, vol 232. Springer, Cham. https://doi.org/10.1007/978-3-319-01568-2_21
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DOI: https://doi.org/10.1007/978-3-319-01568-2_21
Publisher Name: Springer, Cham
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