Article
Molecular mechanisms of calcium and magnesium binding to parvalbumin.
Biophysical journal - 1 Mar 2002
Cates M Susan, Teodoro Miguel L, Phillips George N
Abstract excerpt
Molecular dynamics simulations have been used to investigate the relationship between the coordinating residues of the EF-hand calcium binding loop of parvalbumin and the overall plasticity and flexibility of the protein. The first simulation modeled the transition from Ca(2+) to Mg(2+) coordination by varying the van der Waals parameters for the bound metal ions. The glutamate at position 12 could be accurately...
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