On the Function of Saccharides during the Nucleation of Calcium Carbonate--Protein Biocomposites

Duchstein P, Kniep R, Zahn D (2013)

Publication Type: Journal article

Publication year: 2013

Journal

Crystal Growth & Design American Chemical Society

Book Volume: 13

Pages Range: 4885-4889

Journal Issue: 11

DOI: 10.1021/cg401070h

Abstract

The molecular mechanism of calcium carbonate nucleation in the presence of various types of collageneous proteins is unravelled from computer simulation of ion-by-ion association steps. Single calcium ions are incorporated in the triplehelix by formation of salt bridges to carbonyl and hydroxyl groups of collagen, while single carbonate ions tend to bind laterally to the biomolecule. However, upon multiple ion association, the self-organization of the forming aggregate strongly depends on the triple-helical collagenous strand. In absence of glycosylated lysine residues, we observed that carbonate ions bind to calcium ions that are already incorporated into the triple helix and eventually cause the unfolding of the protein. On the other hand, otolin-1, a specific, collagen-like protein found in biogenic calcite-based composites such as otoconia, comprises a particularly high degree of glycosylated amino acids which avoid such ``destructive'' calcium--carbonate contacts by providing alternative association sites more lateral to the backbone. This leads to the formation of a saccharide--calcium carbonate agglomerate that does not compromise the protein's triple helix and constitutes the organic--inorganic interface of the nucleating biocomposite.

Authors with CRIS profile

Patrick Duchstein Computer-Chemie-Centrum Dirk Zahn Professur für Theoretische Chemie

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials

Involved external institutions

Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS) / Max Planck Institute for Chemical Physics of Solids DE Germany (DE)

How to cite

APA:

Duchstein, P., Kniep, R., & Zahn, D. (2013). On the Function of Saccharides during the Nucleation of Calcium Carbonate--Protein Biocomposites. Crystal Growth & Design, 13(11), 4885-4889. https://dx.doi.org/10.1021/cg401070h

MLA:

Duchstein, Patrick, Ruediger Kniep, and Dirk Zahn. "On the Function of Saccharides during the Nucleation of Calcium Carbonate--Protein Biocomposites." Crystal Growth & Design 13.11 (2013): 4885-4889.

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