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Energetically Most Likely Substrate and Active-Site Protonation Sites and Pathways in the Catalytic Mechanism of Dihydrofolate Reductase

Date

Authors

Cummins, Peter

Gready, Jill

Publisher

American Chemical Society

Abstract

Despite much experimental and computational study, key aspects of the mechanism of reduction of dihydrofolate (DHF) by dihydrofolate reductase (DHFR) remain unresolved, while the secondary DHFR-catalyzed reduction of folate has been little studied. Major

Keywords

Keywords: Protonation; Carboxylation; Catalysis; Enzymes; Geometry; Ionization; Permittivity; Polarization; Reduction; aspartic acid; carboxylic acid derivative; dihydrofolate reductase; dihydrofolic acid; oxygen; proton; article; calculation; catalysis; complex fo

URI

http://hdl.handle.net/1885/67474

Collections

Open Access Research

Source

Journal of the American Chemical Society

Type

Journal article

DOI

10.1021/ja0038474

Restricted until

2037-12-31

Downloads

File

Description

01_Cummins_Energetically_Most_Likely_2001.pdf (150.12 KB)