3D Protein structure determination using bioinformatics and sparse experimental data

Date & time

4–5pm 11 July 2013


RSC Lecture Theatre


A/Prof Thomas Huber


 Jo Bayley

Computational structural biology provides new opportunities to accelerate determination of the 3D structure of proteins and protein-protein complexes as it allows to compute biological meaningful model structures already from minimal sets of experimental data that may come from various experimental techniques. To this end model-based hypotheses can be generated that further can be experimentally validated.
The focus of this talk will be on introducing the concept of integrative structural biology, and how we use this approach to determine the structures of proteins and large biomolecular assemblies. I will show how data from different sources of experiments are integrated in a single model, and particularly highlight the use of lanthanide ions as molecular probes, which provide powerful means to obtain long-range structural information on large protein systems by NMR spectroscopy due to the strong interaction of the unpaired electron with nuclei in the protein.

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