Literature summary for 1.2.3.4 extracted from

Borowski, T.; Bassan, A.; Richards, N.G.; Siegbahn, P.E.
Catalytic Reaction Mechanism of Oxalate Oxidase (Germin). A Hybrid DFT Study (2005), J. Chem. Theory Comput., 1, 686-693.

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Organism

Organism	UniProt	Comment	Textmining
Hordeum vulgare	-	computer model of the reaction mechanism	-

Reaction

Reaction	Comment	Organism	Reaction ID
oxalate + O2 = 2 CO2 + H2O2	The computer model supports the following reaction mechanism: The Oxo-Mn(2)-oxalate complex exists as a mixture of five-and six-coordinate species. The form with coordinatively unsaturated Mn(2) site reacts with dioxygen on the quartet potential energy surface. In this step, the proton from oxalate monoanion is transferred to dioxygen through the first-shell glutamate. The proton-transfer triggers the C-C bond cleavage, and the electron follows the proton. Simultaneously, the second electron, necessary to produce the peroxo species, is provided by manganese. This step, which is also rate-limiting, yields the first CO2 molecule and the reactive intermediate in which the formyl radical anion coordinates the high-spin Mn(3). The quartet to sextet spin transition, which involves a small apparent barrier, allows for the formyl radical -> Mn(3) electron transfer. This step leads to the product-active site complex, which upon protonation decays to H2O2, CO2, and the active site is then ready to begin the next catalytic cycle	Hordeum vulgare	a

Synonyms

Synonyms	Comment	Organism
Germin	-	Hordeum vulgare
OXO	-	Hordeum vulgare

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Release 2023.1 (January 2023)