Literature summary for 1.13.11.3 extracted from

Borowski, T.; Siegbahn, P.E.
Mechanism for Catechol Ring Cleavage by Non-Heme Iron Intradiol Dioxygenases: A Hybrid DFT Study (2006), J. Am. Chem. Soc., 128, 12941-12953.

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Organism

Organism	UniProt	Comment	Textmining
Pseudomonas putida	-	American Type Culture Collection (ATCC) 23975, previously classified as Pseudomonas aeruginosa	-

Reaction

Reaction	Comment	Organism	Reaction ID
3,4-dihydroxybenzoate + O2 = 3-carboxy-cis,cis-muconate	the computational (hybrid density functional method B3LYP) results of the catalytic cycle of the intradiol dioxygenases suggest: (1)binging of the substrate as a dianion (2) binding of dioxygen to the metal aided by an electron transfer from the substrate to O2 (3) formation of a bridging peroxo intermediate and its conformational change, which opens the coordination site trans to His462, (4) binding of a neutral XOH ligand (H2O or Tyr447) at the open site, (5) proton transfer from XOH to the neighboring peroxo ligand yielding the hydroperoxo intermediate, (6) a Criegee rearrangment leading to the anhydride intermediate (the criegee mechanism requires an in-plane oriantation of the involved two oxygen and two carbon atoms. Under some conditions homolytic O-O bond cleavage might compete with the Criegee rearangment.) and (7) hydrolysis of the anhydride to the final acyclic product.	Pseudomonas putida	a

Synonyms

Synonyms	Comment	Organism
3,4-PCD	-	Pseudomonas putida

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Release 2023.1 (January 2023)