The role of residue Thr122 of methylamine dehydrogenase on the proton transfer from the iminoquinone intermediate to residue Asp76

We present the results of combined molecular dynamics and full-quantum calculations aimed at elucidating the role of residue Thr122 of the enzyme methylamine dehydrogenase. Calculations were performed on the native structure and the T122A mutant. We found that the presence of Thr122 has a deleteriou...

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Detalles Bibliográficos
Autores principales: Pierdominici-Sottile, G., Martí, M.A., Palma, J.
Formato: JOUR
Materias:
Amines
Molecular dynamics
Proton transfer
Quantum computers
Reaction rates
Substitution reactions
Enzyme methylamine dehydrogenase
Proton tunneling
Transmission coefficients
Enzyme kinetics
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00092614_v456_n4-6_p243_PierdominiciSottile
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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