Metal bind in proteins: the effect of the dielectric medium

Article Abstract:

Research is presented describing the impact on metal binding in proteins of dielectric medium.

Observations, Metal bonding, Chemistry, Physical and theoretical, Physical chemistry

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Metal selectivity in metalloproteins: Zn(super 2+) vs Mg(super 2+)

Article Abstract:

Density Functional theory and continuum dielectric methods are used to evaluate the free energy of metal exchange in model binding sites in order to elucidate the factors governing metal cation selectivity by proteins. The conclusion states that Zn(super 2+) binding sites appear to be more selective than Mg(super 2+) binding sites.

Zinc, Chemical bonds, Magnesium (Metal)

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Monodentate versus bidentate carboxylate binding in magnesium and calcium proteins: what are the basic principles?

Article Abstract:

The physical properties that determine the carboxylate-binding mode in metalloproteins are elucidated by surveying the Protein Data Bank (PDB) and performing density functional and continuum dielectric calculations. The carboxylate-binding mode is determined by competition between the metal cation, on one hand and nonacidic neighboring ligands from the metal inner or outer coordination sphere, on the other for the second O atom of the COO(super -) moiety.

Pharmaceutical Preparation Manufacturing, All Other Basic Inorganic Chemical Manufacturing, Pharmaceutical preparations, Industrial inorganic chemicals, not elsewhere classified, Calcium, Calcium Supplements, Calcium (Nutrient), Calcium, Dietary, Magnesium in the body, Magnesium (Nutrient), Chemical properties, Binding proteins

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