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Czasopismo
2012 | 10 | 5 | 1527-1533
Tytuł artykułu

Exploring the possibility of high-valent copper in models of copper proteins with a three-histidine copper-binding motif

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
An important function of many copper-containing proteins is activation of O2 and subsequent substrate oxidation. The Cu (III) oxidation state is generally considered to be less accessible because of the highly positive Cu (III)/Cu (II) redox potentials with typical amino acid ligands. Here, we employ density functional (DFT) calculations to explore to what extent copper (III) may be accessed in a biologically-relevant coordination environment around a mononuclear copper center, by breaking the oxygen-oxygen bond in a copper-(hydro) peroxide complex. In agreement with previous findings by Solomon and co-workers on copper models with related coordination patterns, the formally high-valent copper complex produced by O-O bond cleavage appears to harbor both oxidizing equivalents on the ligands. The potential energy surface for such a reaction reveals that with the three-histidine binding motif at the copper, O-O bond cleavage is not impossible, but rather disfavored thermodynamically. [...]
Wydawca

Czasopismo
Rocznik
Tom
10
Numer
5
Strony
1527-1533
Opis fizyczny
Daty
wydano
2012-10-01
online
2012-07-21
Twórcy
  • Department of Chemistry, “Babes-Bolyai University, Cluj-Napoca, RO-400028, Romania
autor
  • Department of Chemistry, “Babes-Bolyai University, Cluj-Napoca, RO-400028, Romania
Bibliografia
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  • [4] N.W. Aboelella, B.F. Gherman, L.M.R. Hill, J.T. York, N. Holm, V.G. Young Jr., C.J. Cramer, W.B. Tolman, J. Am. Chem. Soc. 128, 3445 (2006) http://dx.doi.org/10.1021/ja057745v[Crossref]
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  • [9] A. Decker, E.I. Solomon, Curr. Opin. Chem. Biol. 9, 152 (2005) http://dx.doi.org/10.1016/j.cbpa.2005.02.012[Crossref]
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11532-012-0069-3
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