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X-ray structure of perdeuterated DFPase – perdeuteration of enzymes for neutron diffraction

Perdeuteration of proteins is a much discussed strategy to overcome the problems of incoherent scattering caused by hydrogen in neutron diffraction experiments because deuterium displays a significantly lower incoherent scattering cross section compared to the normal hydrogen isotope. Expression of the protein in perdeuterated media is required for this. We report the X-ray structure of perdeuterated DFPase, which displays practically no differences to the hydrogenous structure. B-factors and RMSD values are reported. Even though a very big perdeuterated DFPase crystal was grown, it did not diffract neutrons. Reasons for this unexpected behaviour are discussed. The structure is presented in a new publication in Acta Cryst. F.

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Reversed Enantioselectivity of DFPase by Rational Design

Based on structural and mechanistic knowledge, mutants of the phosphotriesterase enzmye DFPase were created that reverse the enantioselectivity of the enzyme from the less toxic to the more toxic stereoisomer of G-type nerve agents. The mutants not only feature a reversed enantioselectivity but also increased enzymatic activity compared to the wildtype. The results are described in a new paper published in the Journal of the American Chemical Society (JACS).

Asides

• Our recently published article in JACS on engineering enantioselectivity in DFPase is now a "Research Highlight" in Nature Chemistry. The article is publicly available but a nature account is required. #
• "Chemistry World" a publication of the Royal Society of Chemistry in the UK reported on a recently published article in JACS about the decontamination of sulfur mustard in microemulsions by oxidative chemistry. I was asked to comment on this article. A few lines managed to get into the ChemWorld coverage, which you can find here. #
• The Bundeswehr Medical Service (Sanitätsdienst der Bundeswehr) writes about DFPase and our neutron structure on its web page. The article (in German) can be found here. #
• The German newspaper "Frankfurter Rundschau" published an article about DFPase and our neutron structure with the title "Der Fisch und das Gift" (The Fish and the Venom). The article can be found here. #