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  • 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.
  • 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. (en)
Title
  • Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design.
  • Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design. (en)
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  • Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design.
  • Dynamics and Hydration Explain Failed Functional Transformation in Dehalogenase Design. (en)
skos:notation
  • RIV/00216224:14310/14:00074209!RIV15-MSM-14310___
http://linked.open...avai/riv/aktivita
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  • I, P(ED1.100/02/0123), P(EE2.3.30.0037), P(GAP503/12/0572), P(GBP208/12/G016), P(LO1214)
http://linked.open...iv/cisloPeriodika
  • 6
http://linked.open...vai/riv/dodaniDat
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  • 12724
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  • RIV/00216224:14310/14:00074209
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  • haloalkane dehalogenase (en)
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  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [DF36122EBB67]
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  • Nature Chemical Biology
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http://linked.open...v/svazekPeriodika
  • 10
http://linked.open...iv/tvurceVysledku
  • Brezovský, Jan
  • Chaloupková, Radka
  • Damborský, Jiří
  • Fořtová, Andrea
  • Koudeláková, Táňa
  • Prokop, Zbyněk
  • Štěpánková, Veronika
  • Kuta Smatanova, I.
  • Hof, M.
  • Sykora, J.
  • Lahoda, M.
  • Chernovets, T.
http://linked.open...ain/vavai/riv/wos
  • 000336238200008
issn
  • 1552-4450
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http://localhost/t...ganizacniJednotka
  • 14310
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