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  • The effect of non-denaturing concentrations of three different organic solvents, formamide, acetone and isopropanol, on the structure of haloalkane dehalogenases DhaA, LinB, and DbjA at the protein-solvent interface was studied using molecular dynamics simulations. Analysis of B-factors revealed that the presence of a given organic solvent mainly affects the dynamical behavior of the specificity-determining cap domain, with the exception of DbjA in acetone. Orientation of organic solvent molecules on the protein surface during the simulations was clearly dependent on their interaction with hydrophobic or hydrophilic surface patches, and the simulations suggest that the behavior of studied organic solvents in the vicinity of hyrophobic patches on the surface is similar to the air/water interface. DbjA was the only dimeric enzyme among studied haloalkane dehalogenases and provided an opportunity to explore effects of organic solvents on the quaternary structure.
  • The effect of non-denaturing concentrations of three different organic solvents, formamide, acetone and isopropanol, on the structure of haloalkane dehalogenases DhaA, LinB, and DbjA at the protein-solvent interface was studied using molecular dynamics simulations. Analysis of B-factors revealed that the presence of a given organic solvent mainly affects the dynamical behavior of the specificity-determining cap domain, with the exception of DbjA in acetone. Orientation of organic solvent molecules on the protein surface during the simulations was clearly dependent on their interaction with hydrophobic or hydrophilic surface patches, and the simulations suggest that the behavior of studied organic solvents in the vicinity of hyrophobic patches on the surface is similar to the air/water interface. DbjA was the only dimeric enzyme among studied haloalkane dehalogenases and provided an opportunity to explore effects of organic solvents on the quaternary structure. (en)
Title
  • Interaction of Organic Solvents with Protein Structures at Protein-Solvent Interface
  • Interaction of Organic Solvents with Protein Structures at Protein-Solvent Interface (en)
skos:prefLabel
  • Interaction of Organic Solvents with Protein Structures at Protein-Solvent Interface
  • Interaction of Organic Solvents with Protein Structures at Protein-Solvent Interface (en)
skos:notation
  • RIV/00216224:14310/13:00065827!RIV14-MSM-14310___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • I, P(ED0001/01/01), P(ED1.100/02/0123), P(GA203/08/0114), P(GAP207/10/1934), P(IAA401630901), P(ME09062), S, Z(MSM6007665808)
http://linked.open...iv/cisloPeriodika
  • 11
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
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  • 80648
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14310/13:00065827
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • haloalkane dehalogenases (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [412BF020A502]
http://linked.open...i/riv/nazevZdroje
  • Journal of Molecular Modeling
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
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http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 19
http://linked.open...iv/tvurceVysledku
  • Brezovský, Jan
  • Damborský, Jiří
  • Minofar, B.
  • Khabiri, M.
  • Ettrich, R.
http://linked.open...ain/vavai/riv/wos
  • 000326193200010
http://linked.open...n/vavai/riv/zamer
issn
  • 1610-2940
number of pages
http://bibframe.org/vocab/doi
  • 10.1007/s00894-012-1507-z
http://localhost/t...ganizacniJednotka
  • 14310
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