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The University of Southampton
Chemistry

Research project: Khalid: Transport mechanisms in bacteria: Autotransporters

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Bacterial autotransporters are multi-domain proteins responsible for delivering polypeptides across the outer membrane to the cell surface of Gram negative bacteria.  

Autotransporters are comprised of two domains, a C-terminal porin-like domain which is used to facilitate the transport of the larger N-terminal “passenger domain”. It is likely that the C-terminal domain anchors the protein in the outer membrane, however the mechanism by which the passenger domain is translocated to the cell surface remains unknown. Understanding nature’s way of transporting molecules across cell membranes is an important step in designing synthetic systems for this purpose.

To this end this we are performing comparative MD simulations of autotransporters for which sufficient structural data is available.

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Khalid S and Sansom MSP, "Molecular Dynamics Simulations of a Bacterial Autotransporter: NalP from Neisseria meningitidis" Molecular Membrane Biology, 2006, 23, 449-508

Related research groups

Computational Systems Chemistry
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