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

@article{Ferrario2012ElucidatingTS,
  title={Elucidating the structural and conformational factors responsible for the activity and substrate specificity of alkanesulfonate monooxygenase.},
  author={Valerio Ferrario and Paolo Braiuca and Patr{\'i}cia Salvador Tessaro and Lorena Knapic and Christian Gruber and J{\"u}rgen Pleiss and Cynthia Ebert and Emerich Eichhorn and Lucia Gardossi},
  journal={Journal of biomolecular structure & dynamics},
  year={2012},
  volume={30 1},
  pages={
          74-88
        }
}
The mechanism and substrate specificity of alkanesulfonate monooxygenase (SsuD) was investigated by combining molecular dynamics simulations, docking, and a comprehensive quantitative structure activity relationships (QSAR) analysis. The FMNH(2) 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… CONTINUE READING
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