DescriptionSOD2 PCET mechanism adapted from Azadmanesh et al. (2021) Nat. Commun.jpg
English: During the Mn3+ to Mn2+ redox reaction, Gln143 donates an amide proton to hydroxide bound to the Mn and forms an amide anion. The amide anion is stabilized by short-strong hydrogen bonds (SSHBs) with the Mn-bound solvent and the nearby Trp123 residue. For the Mn2+ to Mn3+ redox reaction, the proton is donated back to the glutamine to reform the amide state. The fast and efficient PCET catalysis of SOD2 is explained by the use of a proton that is always present and never lost to bulk solvent.
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Adapted from Azadmanesh et al. (2021) Nat. Commun.
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The PCETs of SOD2 use PTs between Q143 and a Mn-bound solvent molecule. Deprotonation of Q143 is stabilized with SSHBs shown as yellow-hashed lines. ETs occur with the substrate, superoxide, not shown in the figure.