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Structure paper

TitleX‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
Journal, issue, pagesACS CATALYSIS, Vol. 3, Page 2376-2390, Year 2013
Publish dateSep 23, 2011 (structure data deposition date)
AuthorsPompeu, Y.A. / Sullivan, B. / Stewart, J.D.
External linksACS CATALYSIS / Search PubMed
MethodsX-ray diffraction
Resolution1.179 - 1.7 Å
Structure data

PDB-3txz:
OYE1-W116Q complexed with R-carvone
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4gbu:
OYE1-W116A in complex with aromatic product of S-carvone dismutation
Method: X-RAY DIFFRACTION / Resolution: 1.179 Å

PDB-4ge8:
OYE1-W116I complexed with (s)-Carvone
Method: X-RAY DIFFRACTION / Resolution: 1.499 Å

PDB-4gwe:
W116L-OYE1 complexed with (R)-carvone
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-4gxm:
OYE1-W116L in complex with aromatic product of R-carvone dismutation
Method: X-RAY DIFFRACTION / Resolution: 1.362 Å

PDB-4h6k:
W116I mutant of OYE1
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-4k7v:
OYE1-W116A complexed with (R)-carvone
Method: X-RAY DIFFRACTION / Resolution: 1.516 Å

PDB-4k7y:
Oye1-w116t
Method: X-RAY DIFFRACTION / Resolution: 1.199 Å

PDB-4k8e:
OYE1-W116V complexed with the aromatic product of (R)-carvone dismutation
Method: X-RAY DIFFRACTION / Resolution: 1.269 Å

PDB-4k8h:
OYE1-W116V complexed with (R)-carvone
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE / Flavin mononucleotide

ChemComp-07V:
(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER / Water

ChemComp-0WV:
2-methyl-5-(prop-1-en-2-yl)phenol

ChemComp-CL:
Unknown entry / Chloride

ChemComp-NA:
Unknown entry

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM / Polyethylene glycol

ChemComp-0WU:
(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER / Diethylene glycol

ChemComp-PGE:
TRIETHYLENE GLYCOL / Polyethylene glycol

Source
  • saccharomyces pastorianus (lager yeast)
KeywordsOXIDOREDUCTASE / Enantioselectivity / Alkene Reductase / Enone reductase / OYE Old yellow enzyme / TIM Barrel / NAD(P)H Oxidoreductase / Flavin mononucleotide / Nicotinamide adenine dinucleotide / alpha/beta barrel / enenone reductase / NADPH oxidoreductase / carvone / enenatioselectivity / binding mode / dismutation / ligand / NAD(P)H oxidoreductase; alkene reductase / NAD(P)H / ENOATE REDUCTASE / SUBSTRATE FLIPPING / reductase / flipped binding / OYE / old yellow enzyme / biocatalysis / atomic resolution / enanatiocomplementarity / FMN binding domain / FMN NAD(P)H / flipped binding mode / semi rational design / NADPH dehydrogenase 1 / TIM-barrel

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