Molecular Modelling and Functional Studies of the Biomineralising Protein Perlucin

Nacre is a biogenic composite material. One protein from the organic fraction of the nacreous layers of Haliotis laevigata is perlucin. It is supposed to be involved in nacre formation. This thesis presents a molecular model of the C-type lectin-like domain (CTLD) of perlucin. The model was calculated by means of comparative modelling and tested with molecular dynamic simulations. One computational study with the newly available perlucin structures is presented in this thesis. A rigid docking analysis of several structures of the CTLD of perlucin led to the proposal of several residues that could be involved in homodimer formation. The experimental part of this thesis consists of size-exclusion chromatography (SEC) experiments performed with nacre proteins. A suitable buffer solution composition - near neutral pH value of 7.3 and 1 M NaCl - is given that can serve as a basis for future SEC experiments with perlucin. Current SEC results could point to a dimerization of perlucin.