Binding and channeling of alternative substrates in the enzyme DmpFG: a molecular dynamics study.

Abstract excerpt

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...

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• Aldehydes
• Catalytic Domain
• Fructose-Bisphosphate Aldolase
• Molecular Dynamics Simulation
• Oxidoreductases