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Literature summary for 1.14.11.17 extracted from

  • Godfrey, E.; Porro, C.S.; de Visser, S.P.
    Comparative quantum mechanics/molecular mechanics (QM/MM) and density functional theory calculations on the oxo-iron species of taurine/alpha-ketoglutarate dioxygenase (2008), J. Phys. Chem. A, 112, 2464-2468.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
comparative quantum mechanics/molecular mechanics and density functional theory calculations on the oxo-iron species. Protonation of the histidine ligands of iron is essential to reproduce the correct electronic representations of the enzyme. Enzyme is very efficient in reacting with substrates via low reaction barriers Escherichia coli

Metals/Ions

Metals/Ions Comment Organism Structure
Iron comparative quantum mechanics/molecular mechanics and density functional theory calculations on the oxo-iron species. Protonation of the histidine ligands of iron is essential to reproduce the correct electronic representations of the enzyme. Enzyme is very efficient in reacting with substrates via low reaction barriers Escherichia coli

Organism

Organism UniProt Comment Textmining
Escherichia coli P37610
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