Physical Chemistry Chemical Physics · 2019 · 17 citations · 54 references
Life SciencesBiochemistryMolecular BiologyEnzymologyMolecular BiophysicsStructural BiologyAtp HydrolysisMolecular DynamicsMolecular MechanicsMolecular MotorsMotor ProteinsProtein DynamicsAtp Hydrolysis CouplingAtp Hydrolysis MechanismDynein BiochemistryDynein MotorsEnzymatic HydrolysisProton Relay NetworksProton Transfer ReactionsQuantum Mechanics Modeling
ion in the ATP hydrolysis of dynein. Additionally, multiple sequence alignment of the different organisms of dynein motors has conveyed the evolutionary importance of the Glu1742, Asn1742, and Arg2109 residues, respectively. As similar mechanisms are also prevalent in other motors, and GTPase and ATPase enzymes, the present finding spells out the definitive requirement of a proton relay process through an extended water-chain as one of the key components in an enzymatic ATP hydrolysis reaction.
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Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17