In this paper, we investigate the effects of a point mutation on the enzymatic activity of copper-zinc superoxide dismutase, which we recently studied in detail by means of a theoretical-computational procedure (J Phys. Chem. B 2004, 108, 16255). Comparison of the reactivity of the initial catalytic steps in this mutant (G93A mutation far from the active site) with our previous data, reveals the beautiful mechanical-dynamical architecture of the enzyme, altered by such an apparently irrelevant mutation. Finally, our results suggest a possible atomic-molecular-based explanation for the mutant-pathology correlation, in line with the most recent experimental data.

Amadei, A., D'Alessandro, M., Paci, M., Di Nola, A., & Aschi, M. (2006). On the effect of a point mutation on the reactivity of CuZn superoxide dismutase: A theoretical study. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 110(14), 7538-7544 [10.1021/jp057095h].

On the effect of a point mutation on the reactivity of CuZn superoxide dismutase: A theoretical study

AMADEI, ANDREA;PACI, MAURIZIO;
2006

Abstract

In this paper, we investigate the effects of a point mutation on the enzymatic activity of copper-zinc superoxide dismutase, which we recently studied in detail by means of a theoretical-computational procedure (J Phys. Chem. B 2004, 108, 16255). Comparison of the reactivity of the initial catalytic steps in this mutant (G93A mutation far from the active site) with our previous data, reveals the beautiful mechanical-dynamical architecture of the enzyme, altered by such an apparently irrelevant mutation. Finally, our results suggest a possible atomic-molecular-based explanation for the mutant-pathology correlation, in line with the most recent experimental data.
Pubblicato
Rilevanza internazionale
Articolo
Sì, ma tipo non specificato
Settore CHIM/02 - Chimica Fisica
English
Catalysis; Copper compounds; Molecular dynamics; Mutagenesis; Pathology; Mutation; Superoxide dismutase; Theoretical-computational procedure; Enzymes; superoxide dismutase; article; chemical structure; chemistry; electromagnetic field; genetics; point mutation; Electromagnetic Fields; Models, Molecular; Point Mutation; Superoxide Dismutase
Amadei, A., D'Alessandro, M., Paci, M., Di Nola, A., & Aschi, M. (2006). On the effect of a point mutation on the reactivity of CuZn superoxide dismutase: A theoretical study. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 110(14), 7538-7544 [10.1021/jp057095h].
Amadei, A; D'Alessandro, M; Paci, M; Di Nola, A; Aschi, M
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2108/23628
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