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Disulfide Superposition of different ChiB crystal-structures has revealed that loops above the active site "close" when the substrate binds and open to release the product. In addition inter-domain hinge-bending motions have been observed. In the animation above the motions seen in the crystal structures have been simulated with essential dynamics methods to reveal larger movements (D.M.F. Van Aalten et al, unpublished observation). The existence of extrapolated conformations seen in the essential dynamics trajectory has been experimentally verified by successful engineering of disulfide bridges designed to fit in these confirmations (B. Synstad et al unpublished observation). The three disulfide pairs are colored red, green and blue. Copyright Daan van Aalten, Dundee |