Abstract

ROSALES-LEON, Luis; HERNANDEZ-DOMINGUEZ, Eric Edmundo; GAYTAN-MONDRAGON, Samantha  and  RODRIGUEZ-SOTRES, Rogelio. Metal Binding Sites in Plant Soluble Inorganic Pyrophosphatases: An Example of the Use of ROSETTA Design and Hidden Markov Models to Guide the Homology Modeling of Proteins. J. Mex. Chem. Soc [online]. 2012, vol.56, n.1, pp.23-31. ISSN 1870-249X.

In contrast to their counterparts in bacteria and animals the soluble inorganic pyrophosphatases from plant cells are active as monomers. The isoforms 1 and 4 from Arabidopsis thaliana have been characterized with more detail, but their three-dimensional structure is unavailable. Here, a recently published protocol (ROSETTA design-HMMer), is used to guide well-known techniques for homology-modeling, in the production of reliable models for the three-dimensional structure of these two arabidopsis isoforms. Their interaction with magnesium ions and pyrophosphate is analyzed in silico.

Keywords : Protein 3D structure; comparative structural modeling; pyrophosphatase EC 3.6.1.1.

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