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TitleStructural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 140, Page 12645-12654, Year 2018
Publish dateJan 4, 2018 (structure data deposition date)
AuthorsZhou, J.Y. / Wang, Y. / Xu, G.C. / Wu, L. / Han, R.Z. / Schwaneberg, U. / Rao, Y.J. / Zhao, Y.L. / Zhou, J.H. / Ni, Y.
External linksJ. Am. Chem. Soc. / PubMed:30247889
MethodsX-ray diffraction
Resolution1.779 - 2.199 Å
Structure data

PDB-5z2x:
Structure of Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH)
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-5zec:
Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Q136N/F161V/S196G/E214G/S237C)
Method: X-RAY DIFFRACTION / Resolution: 1.779 Å

PDB-5zed:
Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (E214V/T215S)
Method: X-RAY DIFFRACTION / Resolution: 2.199 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-EOH:
ETHANOL

Source
  • vanderwaltozyma polyspora dsm 70294 (fungus)
KeywordsOXIDOREDUCTASE / Alcohol dehydrogenase(KpADH) / NADPH / ISOMERASE

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