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Structure paper

TitleAdvancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning.
Journal, issue, pagesAcs Catalysis, Vol. 13, Page 12506-12518, Year 2023
Publish dateMar 10, 2023 (structure data deposition date)
AuthorsKunka, A. / Marques, S.M. / Havlasek, M. / Vasina, M. / Velatova, N. / Cengelova, L. / Kovar, D. / Damborsky, J. / Marek, M. / Bednar, D. / Prokop, Z.
External linksAcs Catalysis / PubMed:37822856
MethodsX-ray diffraction
Resolution1.31 - 1.51 Å
Structure data

PDB-8oe2:
Structure of hyperstable haloalkane dehalogenase variant DhaA223
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-8oe6:
Structure of hyperstable haloalkane dehalogenase variant DhaA231
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-GOL:
GLYCEROL

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-MG:
Unknown entry

Source
  • synthetic construct (others)
KeywordsHYDROLASE / Engineered haloalkane dehalogenase

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