Protein dynamics by CRAY supercomputer: gating of a Ca/sup ++/ channel in a unique 19 kD hydrophobic phosphoprotein, amelogenin, from bovine tooth enamel

Protein dynamics as determined by a CRAY supercomputer of a unique approximately 19-kD hydrophobic phosphoprotein, amelogenin, from bovine tooth enamel are discussed. The protein is postulated to contain a Ca/sup ++/ channel consisting of a beta -spiral structure occurring in the tandem repeat fragment of the primary structure of the protein. Constrained molecular dynamics simulation, augmented by 2-D NMR studies, have revealed an unusual protein structure.<
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