Brand  (β version)

PDB ID: 4GWE

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Ligands
Code Name Style Show Link
07V (5r)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one PoSSuM
1PE Pentaethylene glycol PoSSuM
CL Chloride ion PoSSuM
FMN Flavin mononucleotide PoSSuM
MG Magnesium ion PoSSuM
NA Sodium ion PoSSuM
Non-standard Residues
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Structure summary

Code : 4GWE   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : W116L-OYE1 complexed with (R)-carvone
Release Data : 2012-10-03
Compound :
mol_id molecule chains synonym
1 NADPH dehydrogenase 1 A Old yellow enzyme 1
ec: 1.6.99.1
mutation: W116L
Source :
mol_id organism_scientific organism_common expression_system
1 Saccharomyces pastorianus  (taxid:27292) Lager yeast Escherichia coli  (taxid:469008)
gene: OYE1
expression_system_strain: BL21(DE3) gold
expression_system_vector_type: plasmid
expression_system_plasmid: pET
Authors : Pompeu, Y.A., Stewart, J.D.
Keywords : reductase, enantioselectivity, flipped binding, carvone, enoate reductase, OYE, old yellow enzyme, biocatalysis, atomic resolution, TIM barrel, alpha/beta barrel, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 1.45 Å )
Citation :

X‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase

Pompeu, Y.A.,Sullivan, B.,Stewart, J.D.
(2013)  ACS CATALYSIS  3 : 2376 - 2390

DOI: 10.1021/cs400622e

Reaction

Chain : A
UniProt : Q02899 (OYE1_SACPS)
Reaction: EC: Evidence:
Physiological Direction:
A + H(+) + NADPH = AH2 + NADP(+) 1.6.99.1 PubMed:9830019, PubMed:8454584
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