Distinguishing Metal-Binding Sites in GPI 12P/PIG-L Proteins under Molecular Dynamics and Simulation

Godavarthi Rajan Bhagyasri, Chandrasekhar KB, D Muralidhara rao


A dramatic increase in the number of solved metallo protein structures and recent breakthroughs in structural analysis have provided a sufficiently detailed understanding of the structural chemistry of some metal-binding sites to allow successful design through homology modeling. As a result, metal-binding site design is now one of the most powerful and promising approaches for influencing protein folding, assembly, stability and catalysis studied under simulation process. Furthermore, these analyses clearly demonstrated how the metal ions cause the structural rearrangements that are required to exhibit proper function.


Metal binding sites; GPI 12P, PIG-L; Dynamics; Molecular Simulation

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