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Structure paper

TitleStructural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
Journal, issue, pagesJ. Biol. Chem., Vol. 288, Page 16815-16826, Year 2013
Publish dateDec 12, 2012 (structure data deposition date)
AuthorsSchiefner, A. / Sinz, Q. / Neumaier, I. / Schwab, W. / Skerra, A.
External linksJ. Biol. Chem. / PubMed:23589283
MethodsX-ray diffraction
Resolution1.4 - 1.6 Å
Structure data

PDB-4ida:
Structure of the Fragaria x ananassa enone oxidoreductase in its apo form
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4idb:
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADP+
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-4idc:
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADPH and HDMF
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-4idd:
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADPH and EHMF
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-4ide:
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADP+ and EDHMF
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4idf:
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADPH and HMF
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-1XX:
(2R)-4-hydroxy-2,5-dimethylfuran-3(2H)-one

ChemComp-2XX:
(2R)-2-ethyl-4-hydroxy-5-methylfuran-3(2H)-one

ChemComp-3XX:
(2E)-2-ethylidene-4-hydroxy-5-methylfuran-3(2H)-one

ChemComp-4XX:
4-hydroxy-5-methylfuran-3(2H)-one

Source
  • fragaria vesca (wild strawberry)
KeywordsOXIDOREDUCTASE / medium chain dehydrogenase/reductase family / zinc-independent / Rossmann fold / Enone oxidoreductase / furaneol / hydride transfer / NADPH / NADH / HDMF / 4-hydroxy-2 / 5-dimethyl-3(2H)-furanone / EHMF / 2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone / homofuraneol / EDHMF / (2E)-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone / HMF / 4-hydroxy-5-methyl-3(2H)-furanone / norfuraneol

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