Computational study of the phosphoryl donor activity of dihydroxyacetone kinase from ATP to inorganic polyphosphate
Author:
Affiliation:
1. Departament de Química Física i Analítica; Universitat Jaume I; 12071 Castelló Spain
2. Departamento de Química Bioorgánica; Instituto de Química Orgánica General, CSIC. Juan de la Cierva 3; Madrid 28006 Spain
Funder
Ministerio de Economía y Competitividad
Universitat Jaume I
Generalitat Valenciana
University of Bath (David Parkin Visiting Professorship)
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.25520/fullpdf
Reference72 articles.
1. Dineopentyl Phosphate Hydrolysis: Evidence for Stepwise Water Attack
2. Theoretical Comparison ofp-Nitrophenyl Phosphate and Sulfate Hydrolysis in Aqueous Solution: Implications for Enzyme-Catalyzed Sulfuryl Transfer
3. A computational study of the phosphoryl transfer reaction between ATP and Dha in aqueous solution
4. The role of metal ions in phosphate ester hydrolysis
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1. How a Second Mg2+ Ion Affects the Phosphoryl-Transfer Mechanism in a Protein Kinase: A Computational Study;ACS Catalysis;2020-12-15
2. Examination of the performance of semiempirical methods in QM/MM studies of the SN2-like reaction of an adenylyl group transfer catalysed by ANT4′;Theoretical Chemistry Accounts;2019-10-09
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