ArticleNature chemical biology2014
Dynamics and hydration explain failed functional transformation in dehalogenase design.
Article in Nature chemical biology, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- Engineering and Assay of Enzymes for Expanded Genetic Alphabet Replication.Biochemistry · 2025Article
- The structure and dynamics of water molecule networks underlie catalytic efficiency in a glycoside exo-hydrolase.Communications biology · 2025Article
- Physics-based modeling in the new era of enzyme engineering.Nature computational science · 2025Review
- Azobenzene-Based Photoswitchable Substrates for Advanced Mechanistic Studies of Model Haloalkane Dehalogenase Enzyme Family.ACS catalysis · 2024Article
- Article
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- What Does Time-Dependent Fluorescence Shift (TDFS) in Biomembranes (and Proteins) Report on?Frontiers in chemistry · 2021Review
- A mechanistic view of enzyme evolution.Protein science : a publication of the Protein Society · 2020Review
- Structural and catalytic effects of surface loop-helix transplantation within haloalkane dehalogenase family.Computational and structural biotechnology journal · 2020Article
- Fluorescent substrates for haloalkane dehalogenases: Novel probes for mechanistic studies and protein labeling.Computational and structural biotechnology journal · 2020Article
- Deciphering the Structural Basis of High Thermostability of Dehalogenase from Psychrophilic BacteriumMicroorganisms · 2019Article
- Mechanism-Dependent Modulation of Ultrafast Interfacial Water Dynamics in Intrinsically Disordered Protein Complexes.Angewandte Chemie (International ed. in English) · 2019Article
- Side-Chain Pruning Has Limited Impact on Substrate Preference in a Promiscuous Enzyme.ACS catalysis · 2018Article
- Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.Proceedings of the National Academy of Sciences of the United States of America · 2018Article
- MOLEonline: a web-based tool for analyzing channels, tunnels and pores (2018 update).Nucleic acids research · 2018Article
- The role of protein dynamics in the evolution of new enzyme function.Nature chemical biology · 2016Article
- How mutational epistasis impairs predictability in protein evolution and design.Protein science : a publication of the Protein Society · 2016Article
- Synthetic biology for the directed evolution of protein biocatalysts: navigating sequence space intelligently.Chemical Society reviews · 2015Review
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Authors and funding
12 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We emphasize the importance of dynamics and hydration for enzymatic catalysis and protein design by transplanting the active site from a haloalkane dehalogenase with high enantioselectivity to nonselective dehalogenase. Protein crystallography confirms that the active site geometry of the redesigned dehalogenase matches that of the target, but its enantioselectivity remains low. Time-dependent fluorescence shifts and computer simulations revealed that dynamics and hydration at the tunnel mouth differ substantially between the redesigned and target dehalogenase.
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