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Hydrophobic Shielding Drives Catalysis of Hydride Transfer in a Family of F420H2-Dependent Enzymes

Mohamed, A Elaaf; Condic-Jurkic, Karmen; Ahmed, F Hafna; Yuan, Peng; O'Mara, Megan L; Jackson, Colin J; Coote, Michelle


A family of flavin/deazaflavin-dependent oxidoreductases (FDORs) from mycobacteria has been recently characterized and found to play a variety of catalytic roles, including the activation of prodrugs such as the candidate anti-tuberculosis drug pretomanid (PA-824). However, our understanding of the catalytic mechanism used by these enzymes is relatively limited. To address this, we have used a combination of quantum mechanics and molecular dynamics calculations to study the catalytic mechanism...[Show more]

CollectionsANU Research Publications
Date published: 2016-12-13
Type: Journal article
Source: Biochemistry
DOI: 10.1021/acs.biochem.6b00683
Access Rights: Open Access

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