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Structure paper

TitleEfficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Journal, issue, pagesNat Catal, Vol. 2, Page 931-941, Year 2019
Publish dateSep 30, 2018 (structure data deposition date)
AuthorsChen, X. / Zhang, H. / Ma, M.S. / Liu, W. / Li, J. / Feng, J. / Liu, X. / Osuna, S. / Guo, R.T. / Wu, Q. ...Chen, X. / Zhang, H. / Ma, M.S. / Liu, W. / Li, J. / Feng, J. / Liu, X. / Osuna, S. / Guo, R.T. / Wu, Q. / Zhu, D. / Ma, Y.
External linksNat Catal / Search PubMed
MethodsX-ray diffraction
Resolution1.78 - 1.8 Å
Structure data

PDB-6ihh:
Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6ihi:
Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-A6O:
(2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one

ChemComp-HOH:
WATER

Source
  • ralstonia sp. (bacteria)
KeywordsHYDROLASE/INHIBITOR / OXIDOREDUCTASE / KRED / BIOCATALYST / HYDROLASE-INHIBITOR complex

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