An Artificial Oxygenase Built from Scratch: Substrate Binding Site Identified Using a Docking Approach
Angew. Chem. Int. Ed. 2013, 52, 3922-3925, 10.1002/anie.201209021
The substrate for an artificial iron monooxygenase was selected by using docking calculations. The high catalytic efficiency of the reported enzyme for sulfide oxidation was directly correlated to the predicted substrate binding mode in the protein cavity, thus illustrating the synergetic effect of the substrate binding site, protein scaffold, and catalytic site.
Metal: FeHost protein: NikAAnchoring strategy: SupramolecularOptimization: ChemicalReaction: SulfoxidationMax TON: 199ee: ≤5PDB: ---Notes: ---