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Binding and Channeling of Alternative Substrates in the Enzyme DmpFG: a Molecular Dynamics Study

Smith, Natalie E.; Vrielink, Alice; Attwood, Paul V.; Corry, Ben


DmpFG is a bifunctional enzyme comprised of an aldolase subunit, DmpG, and a dehydrogenase subunit, DmpF. The aldehyde intermediate produced by the aldolase is channeled directly through a buried molecular channel in the protein structure from the aldolase to the dehydrogenase active site. In this study, we have investigated the binding of a series of progressively larger substrates to the aldolase, DmpG, using molecular dynamics. All substrates investigated are easily accommodated within the...[Show more]

CollectionsANU Research Publications
Date published: 2014
Type: Journal article
Source: Biophysical Journal
DOI: 10.1016/j.bpj.2014.03.013


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