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Key Readings

Elucidating the structural and conformational factors responsible for the activity and substrate specificity of alkanesulfonate monooxygenase

The mechanism and substrate specificity of alkansulfonatemonooxygenase (SsuD) was investigated by combining molecular dynamics simulations, docking and a comprehensive QSAR analysis. The FMNH2 dependent monooxygenase undergoes a dynamic conformational change of the active site, passing from a closed to an open state. As a consequence, substrates have access to the active site and the cofactor is then regenerated by the associated oxidoreductase SsuE. Computation
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