Computer Aided Protein Design: Three Dimensional Model Building of the Saruplase Structure
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Modelling studies of the three-dimensional structures of the saruplase-domains are presented. The model of the N-terminal EGF-like domain highlights amino acids residues which might be involved in interactions with saruplase specific receptors. The distribution of charged residues on the surface of the kringle-model is different from other kringle- structures. The model structure of the catalytic serine-protease domain points to surface loops, which surround the active site and may participate in interactions with plasminogen. Starting from the structures of the isolated domains a model for the entire enzyme is constructed which is compatible with experimental results.
KeywordsMolecular Dynamic Simulation Charge Amino Acid Similar Amino Acid Protease Domain Surface Loop
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