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Literature summary for 1.13.11.24 extracted from
- A functional model for quercetin 2,4-dioxygenase Geometric and electronic structures and reactivity of a nickel(II) flavonolate complex (2022), J. Inorg. Biochem., 226, 111632 .
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| synthetic construct | - |
- |
- |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| QueD | - |
synthetic construct |
General Information
| General Information | Comment | Organism |
|---|---|---|
| metabolism | the nickel(II) flavonolate complex bearing a tridentate macrocyclic ligand, [NiII(Me3-TACN)(Fl)(NO3)](H2O) (Me3-TACN = 1,4,7-trimethyl-1,4,7-triazacyclononane, Fl = 3-hydroxyflavone) is a functional model for QueD. The complex shows two isomers with respect to the direction of a flavonolate ligand. Two isomers commonly are in the octahedral geometry with a bidentate of flavonolate and a monodentate of nitrate as well as a tridentate binding of the Me3-TACN ligand. The spin state is a triplet state, and the two singly occupied molecular orbitals (SOMOs) lie energetically lower than the highest (doubly) occupied molecular orbital (HOMO). The HOMO shows an electron density localized in the flavonolate ligand | synthetic construct |
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