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TitlePinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 55, Page 9596-9600, Year 2016
Publish dateMay 26, 2016 (structure data deposition date)
AuthorsLygidakis, A. / Karuppiah, V. / Hoeven, R. / Ni Cheallaigh, A. / Leys, D. / Gardiner, J.M. / Toogood, H.S. / Scrutton, N.S.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:27411040
MethodsX-ray diffraction
Resolution1.3 - 2.66 Å
Structure data

PDB-5l4s:
Isopiperitenone reductase from Mentha piperita in complex with NADP and beta-Cyclocitral
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

PDB-5l51:
Menthone neomenthol reductase from Mentha piperita
Method: X-RAY DIFFRACTION / Resolution: 2.66 Å

PDB-5l53:
Menthone neomenthol reductase from Mentha piperita in complex with NADP
Method: X-RAY DIFFRACTION / Resolution: 2.24 Å

PDB-5lcx:
Isopiperitenone reductase from Mentha piperita in complex with NADP
Method: X-RAY DIFFRACTION / Resolution: 1.709 Å

PDB-5ldg:
Isopiperitenone reductase from Mentha piperita in complex with Isopiperitenone and NADP
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-6KX:
beta-cyclocitral

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-IT9:
(-)-Isopiperitenone

Source
  • mentha piperita (peppermint)
KeywordsOXIDOREDUCTASE / short-chain dehydrogenase/reductases (SDR) / Rossmann fold / beta-cyclocitral / isopiperitenone / Menthone / Isomenthone / short-chain dehydrogenases/reductases (SDR) / Isopulegone

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