Title :
Protein dynamics by CRAY supercomputer: gating of a Ca++ channel in a unique 19 kD hydrophobic phosphoprotein, amelogenin, from bovine tooth enamel
Author :
Palakrishnan, V. Renug ; Prabhakaran, M. ; Huang, S.G. ; Strawich, E. ; Glimcher, J.
Author_Institution :
Harvard Med. Sch., Boston, MA, USA
Abstract :
Protein dynamics as determined by a CRAY supercomputer of a unique ~19-kD hydrophobic phosphoprotein, amelogenin, from bovine tooth enamel are discussed. The protein is postulated to contain a Ca++ channel consisting of a β-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
Keywords :
biology computing; macromolecular dynamics; molecular biophysics; proteins; β-spiral structure; 2D NMR; CRAY supercomputer; Ca2+ channel; constrained molecular dynamics simulation; hydrophobic phosphoprotein, amelogenin, from bovine tooth enamel; protein primary structure; tandem repeat fragment; Bovine; Chemicals; Infrared spectra; Laboratories; Pediatrics; Proteins; Raman scattering; Spectroscopy; Supercomputers; Teeth;
Conference_Titel :
Engineering in Medicine and Biology Society, 1989. Images of the Twenty-First Century., Proceedings of the Annual International Conference of the IEEE Engineering in
Conference_Location :
Seattle, WA
DOI :
10.1109/IEMBS.1989.96510
