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Dynamics and hydration explain failed functional transformation in dehalogenase design
J. Sykora, J. Brezovsky, T. Koudelakova, M. Lahoda, A. Fortova, T. Chernovets, R. Chaloupkova, V. Stepankova, Z. Prokop, IK. Smatanova, M. Hof, J. Damborsky,
Jazyk angličtina Země Spojené státy americké
Typ dokumentu časopisecké články, práce podpořená grantem
NLK
ProQuest Central
od 2005-06-01 do Před 1 rokem
Medline Complete (EBSCOhost)
od 2005-06-01 do 2015-12-31
Health & Medicine (ProQuest)
od 2005-06-01 do Před 1 rokem
PubMed
24727901
DOI
10.1038/nchembio.1502
Knihovny.cz E-zdroje
- MeSH
- bromované uhlovodíky chemie MeSH
- fluorescenční spektrometrie MeSH
- hydrolasy chemie genetika MeSH
- katalytická doména MeSH
- katalýza MeSH
- konformace proteinů MeSH
- krystalografie rentgenová MeSH
- molekulární sekvence - údaje MeSH
- mutageneze cílená MeSH
- proteinové inženýrství * MeSH
- sekvence aminokyselin MeSH
- simulace molekulární dynamiky * MeSH
- spektrometrie hmotnostní - ionizace laserem za účasti matrice MeSH
- stereoizomerie MeSH
- voda chemie MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
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.
Citace poskytuje Crossref.org
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- $a 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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- $a Brezovsky, Jan $u 1] Loschmidt Laboratories, Department of Experimental Biology and Research Centre for Toxic Compounds in the Environment (RECETOX), Faculty of Science, Masaryk University, Brno, Czech Republic. [2].
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- $a Koudelakova, Tana $u 1] Loschmidt Laboratories, Department of Experimental Biology and Research Centre for Toxic Compounds in the Environment (RECETOX), Faculty of Science, Masaryk University, Brno, Czech Republic. [2].
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- $a Prokop, Zbynek $u 1] Loschmidt Laboratories, Department of Experimental Biology and Research Centre for Toxic Compounds in the Environment (RECETOX), Faculty of Science, Masaryk University, Brno, Czech Republic. [2] International Clinical Research Center, St. Anne's University Hospital Brno, Brno, Czech Republic.
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