Mapping the reaction coordinates of enzymatic defluorination

PWY Chan, AF Yakunin, EA Edwards… - Journal of the American …, 2011 - ACS Publications
The carbon− fluorine bond is the strongest covalent bond in organic chemistry, yet
fluoroacetate dehalogenases can readily hydrolyze this bond under mild physiological …

Enzymatic defluorination of fluorinated compounds

HJ Seong, SW Kwon, DC Seo, JH Kim… - Applied biological …, 2019 - Springer
Fluorine-containing compounds are widely used because they have properties required in
textiles and coatings for electronic, automotive, and outdoor products. However, fluorinated …

Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases

AN Khusnutdinova, KA Batyrova, G Brown… - The FEBS …, 2023 - Wiley Online Library
Fluorine forms the strongest single bond to carbon with the highest bond dissociation energy
among natural products. However, fluoroacetate dehalogenases (FADs) have been shown …

X-Ray Crystallographic and Mutational Studies of Fluoroacetate Dehalogenase from Burkholderia sp. Strain FA1

K Jitsumori, R Omi, T Kurihara, A Kurata… - Journal of …, 2009 - Am Soc Microbiol
Fluoroacetate dehalogenase catalyzes the hydrolytic defluorination of fluoroacetate to
produce glycolate. The enzyme is unique in that it catalyzes the cleavage of a carbon …

Microwell Fluoride Screen for Chemical, Enzymatic, and Cellular Reactions Reveals Latent Microbial Defluorination Capacity for −CF3 Groups

MD Bygd, KG Aukema, JE Richman… - Applied and …, 2022 - Am Soc Microbiol
The capacity to defluorinate polyfluorinated organic compounds is a rare phenotype in
microbes but is increasingly considered important for maintaining the environment. New …

Catalytic mechanism of C–F bond cleavage: insights from QM/MM analysis of fluoroacetate dehalogenase

Y Li, R Zhang, L Du, Q Zhang, W Wang - Catalysis Science & …, 2016 - pubs.rsc.org
The catalytic mechanisms of fluoroacetate dehalogenase (FAcD) toward substrates
fluoroacetate and chloroacetate were studied by a combined quantum mechanics/molecular …

Fluorine biocatalysis

L Wu, F Maglangit, H Deng - Current Opinion in Chemical Biology, 2020 - Elsevier
The introduction of fluorine atoms into organic molecules has received considerable
attention as these organofluorines have often found widespread applications in bioorganic …

Substrate specificity of fluoroacetate dehalogenase: an insight from crystallographic analysis, fluorescence spectroscopy, and theoretical computations

T Nakayama, T Kamachi, K Jitsumori… - … A European Journal, 2012 - Wiley Online Library
The high substrate specificity of fluoroacetate dehalogenase was explored by using
crystallographic analysis, fluorescence spectroscopy, and theoretical computations. A crystal …

The catalytic mechanism of fluoroacetate dehalogenase: a computational exploration of biological dehalogenation

T Kamachi, T Nakayama, O Shitamichi… - … A European Journal, 2009 - Wiley Online Library
The biological dehalogenation of fluoroacetate carried out by fluoroacetate dehalogenase is
discussed by using quantum mechanical/molecular mechanical (QM/MM) calculations for a …

Comprehensive understanding of fluoroacetate dehalogenase-catalyzed degradation of fluorocarboxylic acids: a QM/MM approach

Y Yue, J Fan, G Xin, Q Huang, J Wang… - Environmental …, 2021 - ACS Publications
Fluorochemicals are persistent, bioaccumulative, and toxic compounds that are widely
tributed in the environment. Developing efficient biodegradation strategies to decompose …