Revealing the Position of the Substrate in Nickel Superoxide Dismutase: A Model Study
Tietze, Daniel and Voigt, Stephan and Mollenhauer, Doreen and Tischler, Marco and Imhof, Diana and Gutmann, Torsten and González, Leticia and Ohlenschläger, Oliver and Breitzke, Hergen and Görlach, Matthias and Buntkowsky, Gerd – 2011
Water in site: The structure of a stable adduct of a peptide‐based nickel superoxide dismutase model (NiSOD) with cyanide as substrate analogue is determined by NMR spectroscopy and optimized by DFT methods. A functional water molecule is found in the active site (see picture; Ni brown, O red/pink, C green, N blue). The role of this water molecule in the catalytic degradation of O2.− is discussed.