Literature summary for 1.13.11.24 extracted from

Fiorucci, S.; Golebiowski, J.; Cabrol-Bass, D.; Antonczak, S.
Molecular simulations bring new insights into flavonoid/quercetinase interaction modes (2007), Proteins, 67, 961-970.

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Organism

Organism	UniProt	Comment	Textmining
Aspergillus japonicus	Q7SIC2	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
quercetin + O2	the mechanism consists in four successive steps, the first one concerns addition of O2 on the C2 carbon atom, the second corresponds to the closure of the endoperoxo intermediate. In the two last steps, bonds are broken to produce the depside and carbon monoxide. Addition of dioxygen on the C2 atom (step 1) is associated to a pyramidalization at the C2 carbon atom and to a rotation of the B-ring with respect to the conjugated A-C rings. The second step is the rate limiting one and the free energy barriers characterized for the four flavonoids are very close, reaching about 24 kcal/mol. Differences in the values are not significant enough to be exploited to rationalize the nonlinear evolution of the degradation rate. Moreover, the relatively high energy value is expected to be lowered by taking into account the whole environment	Aspergillus japonicus	2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H+	-	?

Synonyms

Synonyms	Comment	Organism
2,3QD	-	Aspergillus japonicus
quercetinase	-	Aspergillus japonicus

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Release 2023.1 (January 2023)