Precise Characterization of Conformational Ensembles - Northeastern Engineering Research

Precise Characterization of Conformational Ensembles

The approach we will take here is to attempt to characterize the set of all shapes a protein can take on – its full conformational ensemble. This will provide a critical link between structure, dynamics and function. The problem is that in a drop of solution, there are a multitude of proteins, each of which may have a different conformation. We will alter the relative abundance of each conformation under many different experimental conditions and collect wide-angle x-ray solution scattering (WAXS) data from the protein under each of those conditions. Using advanced signal processing techniques, we will then extract from these data the scattering due to each conformation individually. This will provide direct structural information on the conformations of functional intermediates that never occur in solution in the absence of other conformations. The result will be a map of the conformational changes that occur during protein action, providing direct experimental evidence for understanding the way proteins use conformational changes to carry out their functions.

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