BRENDA - Enzyme Database show
show all sequences of 1.1.1.B3

Crystal structure and enzyme kinetics of the (S)-specific 1-phenylethanol dehydrogenase of the denitrifying bacterium strain EbN1

Hoeffken, H.W.; Duong, M.; Friedrich, T.; Breuer, M.; Hauer, B.; Reinhardt, R.; Rabus, R.; Heider, J.; Biochemistry 45, 82-93 (2006)

Data extracted from this reference:

Cloned(Commentary)
Commentary
Organism
expression in Escherichia coli
uncultured bacterium
Crystallization (Commentary)
Crystallization
Organism
apo-enzyme and bound to NAD+, at a resolution of 2.1 and 2.4 A, respectively. Enzyme is a tetamer with two types of hydrophobic interfaces. NAD+-binding is associated with a conformational shift of the substrate binding loop from a crystallographically unordered open to a more ordered closed form
uncultured bacterium
Inhibitors
Inhibitors
Commentary
Organism
Structure
(R)-1-phenylethanol
-
uncultured bacterium
(S)-1-phenylethanol
strong substrate inhibition, 50% of maximum activity at 0.1 mM
uncultured bacterium
acetophenone
inhibitory above 0.02 mM, 75% of maximum activty at 1 mM
uncultured bacterium
KM Value [mM]
KM Value [mM]
KM Value Maximum [mM]
Substrate
Commentary
Organism
Structure
additional information
-
additional information
enzyme exhibits positive cooperativity in both forward and reverse direction
uncultured bacterium
0.0055
-
(S)-1-phenylethanol
pH 7.8, 25C
uncultured bacterium
0.0113
-
acetophenone
pH 7.8, 25C
uncultured bacterium
Molecular Weight [Da]
Molecular Weight [Da]
Molecular Weight Maximum [Da]
Commentary
Organism
27000
-
4 * 27000, SDS-PAGE and crystallization data, enzyme is a tetramer with two types of hydrophobic interfaces
uncultured bacterium
59000
-
gel filtration
uncultured bacterium
93000
-
PAGE
uncultured bacterium
Organism
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
uncultured bacterium
-
strain EbN1
-
uncultured bacterium EbN1
-
strain EbN1
-
Purification (Commentary)
Commentary
Organism
recombinant protein
uncultured bacterium
Substrates and Products (Substrate)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
(S)-1-phenylethanol + NAD+
-
685078
uncultured bacterium
acetophenone + NADH + H+
-
-
-
r
(S)-1-phenylethanol + NAD+
-
685078
uncultured bacterium EbN1
acetophenone + NADH + H+
-
-
-
r
acetophenone + NADH + H+
-
685078
uncultured bacterium
(S)-1-phenylethanol + NAD+
-
-
-
r
acetophenone + NADH + H+
-
685078
uncultured bacterium EbN1
(S)-1-phenylethanol + NAD+
-
-
-
r
Subunits
Subunits
Commentary
Organism
tetramer
4 * 27000, SDS-PAGE and crystallization data, enzyme is a tetramer with two types of hydrophobic interfaces
uncultured bacterium
Cloned(Commentary) (protein specific)
Commentary
Organism
expression in Escherichia coli
uncultured bacterium
Crystallization (Commentary) (protein specific)
Crystallization
Organism
apo-enzyme and bound to NAD+, at a resolution of 2.1 and 2.4 A, respectively. Enzyme is a tetamer with two types of hydrophobic interfaces. NAD+-binding is associated with a conformational shift of the substrate binding loop from a crystallographically unordered open to a more ordered closed form
uncultured bacterium
Inhibitors (protein specific)
Inhibitors
Commentary
Organism
Structure
(R)-1-phenylethanol
-
uncultured bacterium
(S)-1-phenylethanol
strong substrate inhibition, 50% of maximum activity at 0.1 mM
uncultured bacterium
acetophenone
inhibitory above 0.02 mM, 75% of maximum activty at 1 mM
uncultured bacterium
KM Value [mM] (protein specific)
KM Value [mM]
KM Value Maximum [mM]
Substrate
Commentary
Organism
Structure
additional information
-
additional information
enzyme exhibits positive cooperativity in both forward and reverse direction
uncultured bacterium
0.0055
-
(S)-1-phenylethanol
pH 7.8, 25C
uncultured bacterium
0.0113
-
acetophenone
pH 7.8, 25C
uncultured bacterium
Molecular Weight [Da] (protein specific)
Molecular Weight [Da]
Molecular Weight Maximum [Da]
Commentary
Organism
27000
-
4 * 27000, SDS-PAGE and crystallization data, enzyme is a tetramer with two types of hydrophobic interfaces
uncultured bacterium
59000
-
gel filtration
uncultured bacterium
93000
-
PAGE
uncultured bacterium
Purification (Commentary) (protein specific)
Commentary
Organism
recombinant protein
uncultured bacterium
Substrates and Products (Substrate) (protein specific)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
(S)-1-phenylethanol + NAD+
-
685078
uncultured bacterium
acetophenone + NADH + H+
-
-
-
r
(S)-1-phenylethanol + NAD+
-
685078
uncultured bacterium EbN1
acetophenone + NADH + H+
-
-
-
r
acetophenone + NADH + H+
-
685078
uncultured bacterium
(S)-1-phenylethanol + NAD+
-
-
-
r
acetophenone + NADH + H+
-
685078
uncultured bacterium EbN1
(S)-1-phenylethanol + NAD+
-
-
-
r
Subunits (protein specific)
Subunits
Commentary
Organism
tetramer
4 * 27000, SDS-PAGE and crystallization data, enzyme is a tetramer with two types of hydrophobic interfaces
uncultured bacterium
Other publictions for EC 1.1.1.B3
No.
1st author
Pub Med
title
organims
journal
volume
pages
year
Activating Compound
Application
Cloned(Commentary)
Crystallization (Commentary)
Engineering
General Stability
Inhibitors
KM Value [mM]
Localization
Metals/Ions
Molecular Weight [Da]
Natural Substrates/ Products (Substrates)
Organic Solvent Stability
Organism
Oxidation Stability
Posttranslational Modification
Purification (Commentary)
Reaction
Renatured (Commentary)
Source Tissue
Specific Activity [micromol/min/mg]
Storage Stability
Substrates and Products (Substrate)
Subunits
Temperature Optimum [C]
Temperature Range [C]
Temperature Stability [C]
Turnover Number [1/s]
pH Optimum
pH Range
pH Stability
Cofactor
Ki Value [mM]
pI Value
IC50 Value
Activating Compound (protein specific)
Application (protein specific)
Cloned(Commentary) (protein specific)
Cofactor (protein specific)
Crystallization (Commentary) (protein specific)
Engineering (protein specific)
General Stability (protein specific)
IC50 Value (protein specific)
Inhibitors (protein specific)
Ki Value [mM] (protein specific)
KM Value [mM] (protein specific)
Localization (protein specific)
Metals/Ions (protein specific)
Molecular Weight [Da] (protein specific)
Natural Substrates/ Products (Substrates) (protein specific)
Organic Solvent Stability (protein specific)
Oxidation Stability (protein specific)
Posttranslational Modification (protein specific)
Purification (Commentary) (protein specific)
Renatured (Commentary) (protein specific)
Source Tissue (protein specific)
Specific Activity [micromol/min/mg] (protein specific)
Storage Stability (protein specific)
Substrates and Products (Substrate) (protein specific)
Subunits (protein specific)
Temperature Optimum [C] (protein specific)
Temperature Range [C] (protein specific)
Temperature Stability [C] (protein specific)
Turnover Number [1/s] (protein specific)
pH Optimum (protein specific)
pH Range (protein specific)
pH Stability (protein specific)
pI Value (protein specific)
Expression
General Information
General Information (protein specific)
Expression (protein specific)
KCat/KM [mM/s]
KCat/KM [mM/s] (protein specific)
724568
Cao
Purification and characterizat ...
Scheffersomyces stipitis
Biores. Technol.
102
1733-1739
2011
-
1
1
-
-
-
3
1
-
-
-
-
3
1
-
-
1
-
-
-
1
-
5
-
1
2
-
-
1
1
2
2
-
-
-
-
1
1
2
-
-
-
-
3
-
1
-
-
-
-
3
-
-
1
-
-
1
-
5
-
1
2
-
-
1
1
2
-
-
-
-
-
-
-
723841
Protsko
Crystallization and preliminar ...
Thermoanaerobacter ethanolicus
Acta Crystallogr. Sect. F
66
831-833
2010
-
-
-
-
1
-
-
-
-
-
-
1
-
1
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
2
-
-
-
-
-
-
2
-
1
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
725726
Li
-
Deracemization of aryl seconda ...
Rhodotorula sp., Rhodotorula sp. AS2.2241
J. Mol. Catal. B
64
48-52
2010
-
1
-
-
-
-
-
-
-
-
-
2
-
2
-
-
-
-
-
-
-
-
4
-
-
-
-
-
-
-
-
1
-
-
-
-
1
-
1
-
-
-
-
-
-
-
-
-
-
2
-
-
-
-
-
-
-
-
4
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
697267
Pal
Activity of yeast alcohol dehy ...
Saccharomyces carlsbergensis, Saccharomyces carlsbergensis Y379-50, Saccharomyces cerevisiae
Chem. Biol. Interact.
178
16-23
2009
-
-
-
-
-
-
-
-
1
-
-
-
-
3
-
-
-
-
-
-
-
-
3
-
-
-
-
-
-
-
-
2
-
-
-
-
-
-
2
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
3
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
697839
Pennacchio
Role of Tryptophan 95 in subst ...
Sulfolobus solfataricus
Extremophiles
13
751-761
2009
-
-
1
1
1
-
-
4
-
-
-
-
-
1
-
-
1
-
-
-
-
-
2
-
-
-
-
4
-
-
-
1
-
-
-
-
-
1
1
1
1
-
-
-
-
4
-
-
-
-
-
-
-
1
-
-
-
-
2
-
-
-
-
4
-
-
-
-
-
-
-
-
-
-
701031
Rocha-Martin
-
Purification, immobilization a ...
Thermus thermophilus
Process Biochem.
44
1004-1012
2009
-
1
1
-
1
-
-
-
-
-
1
1
-
1
-
-
1
-
-
-
1
-
2
1
1
-
3
-
1
-
1
2
-
-
-
-
1
1
2
-
1
-
-
-
-
-
-
-
1
1
-
-
-
1
-
-
1
-
2
1
1
-
3
-
1
-
1
-
-
-
-
-
-
-
684583
Pennacchio
Purification and characterizat ...
Thermus thermophilus
Appl. Environ. Microbiol.
74
3949-3958
2008
1
1
1
-
-
-
7
6
-
5
4
-
1
5
-
-
1
-
-
-
1
-
7
1
2
1
4
5
2
2
-
3
-
-
-
1
1
1
3
-
-
-
-
7
-
6
-
5
4
-
1
-
-
1
-
-
1
-
7
1
2
1
4
5
2
2
-
-
-
-
-
-
-
-
689823
Soni
-
Purification and characterizat ...
Candida viswanathii, Candida viswanathii MTCC 5158
Process Biochem.
42
1632-1640
2007
1
-
-
-
-
-
30
2
-
-
2
-
7
3
-
-
1
-
-
-
1
1
14
1
1
2
1
-
1
1
-
2
-
-
-
1
-
-
2
-
-
-
-
30
-
2
-
-
2
-
7
-
-
1
-
-
1
1
14
1
1
2
1
-
1
1
-
-
-
-
-
-
-
-
685078
Hoeffken
Crystal structure and enzyme k ...
uncultured bacterium, uncultured bacterium EbN1
Biochemistry
45
82-93
2006
-
-
1
1
-
-
3
3
-
-
3
-
-
2
-
-
1
-
-
-
-
-
4
1
-
-
-
-
-
-
-
-
-
-
-
-
-
1
-
1
-
-
-
3
-
3
-
-
3
-
-
-
-
1
-
-
-
-
4
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
684588
Abokitse
Cloning, sequence analysis, an ...
Rhodococcus erythropolis
Appl. Microbiol. Biotechnol.
62
380-386
2003
-
-
1
-
-
-
-
-
-
1
2
-
-
1
-
-
1
-
-
-
1
-
5
1
-
-
-
-
-
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
-
1
2
-
-
-
-
1
-
-
1
-
5
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
685641
Yamamoto
-
Synthesis of (R)-1,3-butanedio ...
Candida parapsilosis
Biosci. Biotechnol. Biochem.
4
925-927
2002
-
1
1
-
-
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
2
-
-
-
-
1
1
2
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
685644
Yamamoto
Synthesis of ethyl (R)-4-chlor ...
Candida parapsilosis
Biosci. Biotechnol. Biochem.
66
481-483
2002
-
1
1
-
-
-
-
-
-
-
-
-
-
3
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
-
-
1
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
685643
Xie
NAD+-Dependent (S)-specific se ...
Nocardia fusca AKU 2123
Biosci. Biotechnol. Biochem.
63
1721-1729
1999
-
-
-
-
-
-
7
3
-
-
2
-
-
4
-
-
1
-
-
-
1
-
24
1
2
-
2
-
-
2
1
3
-
-
-
-
-
-
3
-
-
-
-
7
-
3
-
-
2
-
-
-
-
1
-
-
1
-
24
1
2
-
2
-
-
2
1
-
-
-
-
-
-
-