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TitleDissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Journal, issue, pagesAcs Catalysis, Vol. 10, Page 15019-15032, Year 2020
Publish dateAug 4, 2020 (structure data deposition date)
AuthorsMachado, T.F.G. / Purg, M. / McMahon, S.A. / Read, B.J. / Oehler, V. / Aqvist, J. / Gloster, T.M. / da Silva, R.G.
External linksAcs Catalysis / PubMed:33391858
MethodsX-ray diffraction
Resolution1.28 - 1.93 Å
Structure data

PDB-6zzo:
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and acetoacetate
Method: X-RAY DIFFRACTION / Resolution: 1.28 Å

PDB-6zzp:
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and 3-oxovalerate
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-6zzq:
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Acinetobacter baumannii complexed with NAD+ and acetoacetate
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-6zzs:
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Acinetobacter baumannii complexed with NAD+ and 3-oxovalerate
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-AAE:
ACETOACETIC ACID

ChemComp-HOH:
WATER

ChemComp-QT8:
3-oxidanylidenepentanoic acid

Source
  • psychrobacter arcticus (bacteria)
  • acinetobacter baumannii (bacteria)
KeywordsOXIDOREDUCTASE / (R)-3-hydroxybutyrate dehydrogenase / psychrophilic enzyme / short-chain dehydrogenase/reductase / mesophilic enzyme

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