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

FEBS Letters

Anusevicius, Zilvinas¹  Cenas, Narimantas³  Soffers, Ans E.M.F¹  Sarlauskas, Jonas³  Martinez-Julvez, Marta²  Rietjens, Ivonne M.C.M¹ 

[1] Laboratory of Biochemistry, Wageningen Agricultural University, Dreijenlaan 3, 6703 HA Wageningen, The Netherlands;Departamento de Bioquimica y Biologia Molecular y Cellular, Facultad de Ciencias, Universidad de Zaragoza, 50009 Zaragoza, Spain;Institute of Biochemistry of Lithuanian Academy of Sciences, 2600 Vilnius, Mokslininku, Lithuania

关键词: Nitrobenzene;    Nitrobenzimidazolone;    Electron transfer;    Quantitative structure activity relationship;    Ferredoxin reductase;    Lowest unoccupied molecular orbital;    Kinetic model;   

DOI  :  10.1016/S0014-5793(99)00464-0

学科分类：生物化学/生物物理

来源: John Wiley & Sons Ltd.

【 摘 要 】

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.

【 授权许可】

Unknown