Quantitative structure activity relationships for the electron transfer reactions of  Anabaena  PCC 7119 ferredoxin‐NADP +  oxidoreductase with nitrobenzene and nitrobenzimidazolone derivatives: mechanistic implications | Zendy

Anusevicius Zilvinas | Zendy; Soffers Ans E.M.F | Zendy; Cenas Narimantas | Zendy; Sarlauskas Jonas | Zendy; Martinez-Julvez Marta | Zendy; Rietjens Ivonne M.C.M | Zendy

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Quantitative structure activity relationships for the electron transfer reactions of Anabaena PCC 7119 ferredoxin‐NADP + oxidoreductase with nitrobenzene and nitrobenzimidazolone derivatives: mechanistic implications

Author(s) -

Anusevicius Zilvinas,

Soffers Ans E.M.F,

Cenas Narimantas,

Sarlauskas Jonas,

Martinez-Julvez Marta,

Rietjens Ivonne M.C.M

Publication year - 1999

Publication title -

febs letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.593

H-Index - 257

eISSN - 1873-3468

pISSN - 0014-5793

DOI - 10.1016/s0014-5793(99)00464-0

Subject(s) - ferredoxin , oxidoreductase , ferredoxin—nadp(+) reductase , nitrobenzene , chemistry , electron transfer , anabaena , stereochemistry , biochemistry , photochemistry , catalysis , enzyme , cyanobacteria , biology , bacteria , genetics

The steady state single electron reduction of polynitroaromatics by ferredoxin‐NADP + oxidoreductase (EC 1.18.1.2) from cyanobacterium Anabaena PCC 7119 has been studied and quantitative structure activity relationships are described. The solubility of the polynitroaromatics as well as their reactivity towards ferredoxin‐NADP + oxidoreductase are markedly higher than those for previously studied mononitroaromatics and this enabled the independent measurement of the kinetic parameters k cat and K m . Interestingly, the natural logarithm of the bimolecular rate constant, k cat / K m , and also the natural logarithm of k cat correlate with the calculated energy of the lowest unoccupied molecular orbital of the polynitroaromatic substrates. The minimal kinetic model in line with these quantitative structure activity relationships is a ping‐pong mechanism which includes substrate binding equilibria in the second half reaction.

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