Replication data for "Theoretical Study of the Arachidonic Acid Conversion into Leukotriene A4 Catalyzed by Human 5-Lipoxygenase : Hydroperoxidation and Epoxidation Mechanisms and Arachidonic Acid Active Site Access"

This Dataset contains the Cartesian coordinates file corresponding to the geometries optimized at the QM(B3LYP)/AMBER20 for the complete reaction mechanism (in pdb format) of the arachidonic acid conversion into leukotriene A4 catalyzed by Human 5-Lipoxygenase. It includes the hydroperoxidation and the epoxidation mechanisms.