Literature DB >> 24727901

Dynamics and hydration explain failed functional transformation in dehalogenase design.

Jan Sykora1, Jan Brezovsky2, Tana Koudelakova2, Maryna Lahoda3, Andrea Fortova4, Tatsiana Chernovets5, Radka Chaloupkova4, Veronika Stepankova4, Zbynek Prokop6, Ivana Kuta Smatanova3, Martin Hof5, Jiri Damborsky6.   

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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Year:  2014        PMID： 24727901     DOI： 10.1038/nchembio.1502

Source DB:  PubMed          Journal:  Nat Chem Biol        ISSN： 1552-4450            Impact factor:   15.040


  27 in total

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Authors:  Lennart Nilsson; Bertil Halle
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4.  Nanosecond time-dependent Stokes shift at the tunnel mouth of haloalkane dehalogenases.

Authors:  Andrea Jesenská; Jan Sýkora; Agnieszka Olzyńska; Jan Brezovský; Zbynek Zdráhal; Jirí Damborský; Martin Hof
Journal:  J Am Chem Soc       Date:  2009-01-21       Impact factor: 15.419

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Journal:  Proc Natl Acad Sci U S A       Date:  2010-01-26       Impact factor: 11.205

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Journal:  Nat Chem Biol       Date:  2016-09-12       Impact factor: 15.040

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6.  Structural and catalytic effects of surface loop-helix transplantation within haloalkane dehalogenase family.

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Review 7.  Synthetic biology for the directed evolution of protein biocatalysts: navigating sequence space intelligently.

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8.  Mechanism-Dependent Modulation of Ultrafast Interfacial Water Dynamics in Intrinsically Disordered Protein Complexes.

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9.  Side-Chain Pruning Has Limited Impact on Substrate Preference in a Promiscuous Enzyme.

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10.  Deciphering the Structural Basis of High Thermostability of Dehalogenase from Psychrophilic Bacterium Marinobacter sp. ELB17.

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