The reaction mechanism of allene oxide synthase: Interplay of theoretical QM/MM calculations and experimental investigations.

@article{Cho2011TheRM,
  title={The reaction mechanism of allene oxide synthase: Interplay of theoretical QM/MM calculations and experimental investigations.},
  author={Kyung-Bin Cho and Wenzhen Lai and Mats H{\'a}mberg and C. S. Raman and Sason Shaik},
  journal={Archives of biochemistry and biophysics},
  year={2011},
  volume={507 1},
  pages={14-25}
}
A combined theoretical and experimental study highlights the reaction mechanism of allene oxide synthase (AOS) and its possible link to hydroperoxide lyase (HPL) pathway. A previously published study (Lee et al., Nature 455 (2008) 363) has shown that the F137 residue is of central importance in differentiating between the AOS and HPL pathways after initial identical steps. In the experimental part of this study, we show that wild-type AOS from Arabidopsis or rice in fact produces both AOS and… CONTINUE READING

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