Influence of Metal Cations on the Intramolecular Hydrogen-Bonding Network and pKa in Phosphorylated Compounds

The binding of the most common metal cations of cytoplasm (Li+, Na+, K+, Mg2+ and Ca2+) to a model molecule having an intramolecular hydrogen-bonding network, myo-inositol-2-monophosphate, was studied using first principles. A strong correlation between the conformation of metal inositol phosphate c...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2007-05, Vol.111 (18), p.3602-3612
Hauptverfasser:	YANG, Ping, SPIESS, Bernard, MURTHY, Pushpalatha P. N., BROWN, Richard E.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Binding Sites Cations Hydrogen Bonding Hydrogen-Ion Concentration Inositol Phosphates - chemistry Metals - chemistry Molecular Conformation Phosphorylation Proteins - chemistry Protons Solvents - chemistry Thermodynamics
Online-Zugang:	Volltext
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