EC Number   |
Reaction |
Reference |
|---|
   1.13.11.24 | quercetin + O2 = 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H+ |
- |
- |
| 1.13.11.24 | quercetin + O2 = 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H+ |
EPR study, mechanism, N of His112 is the axial ligand of type II copper site |
654978 |
| 1.13.11.24 | quercetin + O2 = 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H+ |
hybrid density functional theory study on mechanism, dioxygen attack on copper is energetically preferred |
655722 |
| 1.13.11.24 | quercetin + O2 = 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H+ |
possible reaction mechanisms and pathways, kinetics, detailed overview |
743666 |
| 1.13.11.24 | quercetin + O2 = 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H+ |
reaction mechanism, overview. Quantum mechanics/molecular mechanics (QM/MM) and QM-only study on the oxidative ring-cleaving reaction of quercetin catalyzed by quercetin 2,4-dioxygenase, i.e. 2,4-QD, which has a mononuclear type 2 copper center and incorporates two oxygen atoms at C2 and C4 positions of the substrate. Dioxygen is more likely to bind to a Cu2+ ion than to a substrate radical, involving the dissociation of the substrate from the copper ion. Then a Cu2+-alkylperoxo complex can be generated. Steric effects of the protein environment contribute to maintain the orientation of the substrate dissociated from the copper center. A prior rearrangement of the Cu2+-alkylperoxo complex and a subsequent hydrogen bond switching assisted by the movement of Glu73 can facilitate formation of an endoperoxide intermediate selectively. Reaction mechanism for endoperoxide formation, overview |
743150 |
| 1.13.11.24 | quercetin + O2 = 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H+ |
structure-function analysis of the active site |
654768 |
| 1.13.11.24 | quercetin + O2 = 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H+ |
study on mobility and flexibility of substrate cavity, molecular dynamics simulations |
656551 |
| 1.13.11.24 | quercetin + O2 = 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H+ |
the enzyme incorporates both atoms of dioxygen into the substrate by cleaving the central heterocycle ring and releasing CO. The enzyme activates quercetin through deprotonation and the proton acceptor-Glu69 needs to reorient for the reaction to proceed. Energy profiles and reaction schemes for nonenzymatic nitroxygenation of quercetin monoanion. Transient and intermediate structures, catalytic mechaanism, detailed overview |
742916 |
