PMID: 9541232Apr 16, 1998Paper

Dentin phosphoprotein sequence motifs and molecular modeling: conformational adaptations to mineral crystals

European Journal of Oral Sciences
S DahlinA Linde

Abstract

Molecular modeling has been used to investigate structural features of oligopeptides derived from possible primary structure motifs in highly phosphorylated dentin phosphoprotein (PP-H), the predominant noncollagenous protein in dentin. It contains a large number of aspartate (Asp) and phosphoserine (Pse) residues, the latter proposedly crucial for the PP-H function as a mineral nucleator. In this work, computer fitting and subsequent structural adaptation of model peptides, built exclusively from Asp and Pse, to the known crystal structures of hydroxyapatite (HAP) and octacalcium phosphate (OCP) were performed. The results show that, when considering conformational energies of fitted single strand oligo-peptides, either crystal will serve. Within a narrow range, fitting to OCP was slightly favored, except for oligo(Pse-Pse-Asp-Asp), which showed a slightly better fit to HAP. Energy differences between crystal-adapted and non-adapted freely minimized peptides showed that oligo(Pse-Asp) docked to either HAP or OCP were the energetically most favored adaptations. Fitting of minimized triple anti-parallel beta-strands of oligo(Pse-Asp) or oligo(Pse-Pse-Asp), motifs found in published sequences of rat, mouse, and bovine PP-H, revea...Continue Reading

Citations

Dec 2, 2009·Calcified Tissue International·Daniel K YarbroughWenyuan Shi
Jan 26, 2009·Advanced Materials·Erik D SpoerkeSamuel I Stupp
Aug 23, 2011·PloS One·Daniel K YarbroughWenyuan Shi
Feb 23, 2010·PloS One·Paul V AzzopardiGraeme K Hunter
Oct 20, 2015·Materials Science & Engineering. C, Materials for Biological Applications·Dimitris TsiourvasNikos Boukos
Apr 14, 2006·Cells, Tissues, Organs·Anne George, Jianjun Hao
Oct 2, 2008·Tissue Engineering. Part B, Reviews·Johan BeneschRui L Reis
Jul 28, 2005·The Journal of Biological Chemistry·Gen HeAnne George
Jan 1, 1998·Journal of Cellular Biochemistry·Adele L Boskey

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