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Literature summary for 1.1.1.1 extracted from

  • Pennacchio, A.; Sannino, V.; Sorrentino, G.; Rossi, M.; Raia, C.A.; Esposito, L.
    Biochemical and structural characterization of recombinant short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius highly enantioselective on diaryl diketone benzil (2013), Appl. Microbiol. Biotechnol., 97, 3949-3964.
    View publication on PubMed
Search for more literature for 1.1.1.1

Cloned(Commentary)

Cloned (Comment) Organism
heterologously overexpressed in Escherichia coli Sulfolobus acidocaldarius

Crystallization (Commentary)

Crystallization (Comment) Organism
the crystal structure of the binary complex SaADH2–NADH, determined at 1.75 A resolution, reveals details of the active site providing hints on the structural basis of the enzyme enantioselectivity Sulfolobus acidocaldarius

Inhibitors

Inhibitors Comment Organism Structure
1-butyl-3-methylimidazolium tetrafluoroborate 5%, 50% inhibition, presumably due to a competition of the BF4- ion with the coenzyme phosphate moiety for the anion-binding site of the enzyme Sulfolobus acidocaldarius
Fe2+ 1 mM, 7% inhibition Sulfolobus acidocaldarius

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.04
-
 NADH 65°C, pH 5.0 Sulfolobus acidocaldarius
0.11
-
 2,2-dichloroacetophenone 65°C, pH 5.0 Sulfolobus acidocaldarius
0.18
-
 NAD+ 65°C, pH 10.5 Sulfolobus acidocaldarius
0.43
-
 benzil 65°C, pH 5.0 Sulfolobus acidocaldarius
0.81
-
 isoborneol 65°C, pH 10.5 Sulfolobus acidocaldarius
4.2
-
 ethyl benzoylformate 65°C, pH 5.0 Sulfolobus acidocaldarius
5
-
 1-phenyl-1,2-propanedione 65°C, pH 5.0 Sulfolobus acidocaldarius
5.1
-
 cycloheptanol 65°C, pH 10.5 Sulfolobus acidocaldarius
6.3
-
 2,2,2-trifluoroacetophenone 65°C, pH 5.0 Sulfolobus acidocaldarius
8.5
-
 tetralin-1-ol 65°C, pH 10.5 Sulfolobus acidocaldarius
8.7
-
 1-Indanol 65°C, pH 10.5 Sulfolobus acidocaldarius
11.9
-
 2',3',4',5',6'-pentafluoroacetophenone 65°C, pH 5.0 Sulfolobus acidocaldarius
16.6
-
 ethyl 3-methyl-2-oxobutyrate 65°C, pH 5.0 Sulfolobus acidocaldarius

Metals/Ions

Metals/Ions Comment Organism Structure
Li+ 1 mM, 1.15fold activation Sulfolobus acidocaldarius
Mn2+ 1 mM, 1.1 fold activation Sulfolobus acidocaldarius
Na+ 1 mM, 1.13fold activation Sulfolobus acidocaldarius

Molecular Weight [Da]

Molecular Weight [Da] Molecular Weight Maximum [Da] Comment Organism
27024
-
 4 * 27024, ESI-MS analysis Sulfolobus acidocaldarius
29000
-
 4 * 29000, SDS-PAGE Sulfolobus acidocaldarius
109000
-
 sucrose density gradient centrifugation Sulfolobus acidocaldarius

Organism

Organism UniProt Comment Textmining
Sulfolobus acidocaldarius Q4J9F2
-
-
Sulfolobus acidocaldarius DSM 639 Q4J9F2
-
-

Purification (Commentary)

Purification (Comment) Organism
-
 Sulfolobus acidocaldarius

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1-decalone + NADH + H+ 85% of the activity compared to 1-phenyl-1,2-propanedione Sulfolobus acidocaldarius decahydronaphthalen-1-ol + NAD+
-
 ?
1-indanol + NAD+ 26% of the activity compared to isoborneol Sulfolobus acidocaldarius 1-indanone + NADH + H+
-
 ?
1-indanol + NAD+ 26% of the activity compared to isoborneol Sulfolobus acidocaldarius DSM 639 1-indanone + NADH + H+
-
 ?
1-phenyl-1,2-propanedione + NADH + H+ 1-phenyl-1,2-propanedione and ethyl 3-methyl-2-oxobutyrate are the best substrate in the reduction reaction Sulfolobus acidocaldarius ?
-
 ?
1-phenyl-1,2-propanedione + NADH + H+ 1-phenyl-1,2-propanedione and ethyl 3-methyl-2-oxobutyrate are the best substrate in the reduction reaction Sulfolobus acidocaldarius DSM 639 ?
-
 ?
2',3',4',5',6'-pentafluoroacetophenone + NADH + H+ 45% of the activity compared to 1-phenyl-1,2-propanedione Sulfolobus acidocaldarius 1-(2,3,4,5,6-pentafluorophenyl)ethanol + NAD+
-
 ?
2,2'-dichlorobenzil + NADH + H+
-
 Sulfolobus acidocaldarius 1,2-bis(2-chlorophenyl)-2-hydroxyethanone + NAD+
-
 ?
2,2,2-trifluoroacetophenone + NADH + H+ 35% of the activity compared to 1-phenyl-1,2-propanedione Sulfolobus acidocaldarius 2,2,2-trifluoro-1-phenylethanol + NAD+
-
 ?
2,2-dichloroacetophenone + NADH + H+ 30% of the activity compared to 1-phenyl-1,2-propanedione Sulfolobus acidocaldarius 2,2-dichloro-1-phenylethanol + NAD+
-
 ?
2-methylcyclohexanone + NADH + H+ 13% of the activity compared to 1-phenyl-1,2-propanedione Sulfolobus acidocaldarius 2-methylcyclohexanol + NAD+
-
 ?
3-methylcyclohexanol + NAD+ 10% of the activity compared to isoborneol Sulfolobus acidocaldarius ?
-
 ?
3-methylcyclohexanone + NADH + H+ 33% of the activity compared to 1-phenyl-1,2-propanedione Sulfolobus acidocaldarius 3-methylcyclohexanol + NAD+
-
 ?
4-methylcyclohexanone + NADH + H+ 60% of the activity compared to 1-phenyl-1,2-propanedione Sulfolobus acidocaldarius 4-methylcyclohexanol + NAD+
-
 ?
acetophenone + NADH + H+
-
 Sulfolobus acidocaldarius 1-phenylethanol + NAD+
-
 ?
acetophenone + NADH + H+
-
 Sulfolobus acidocaldarius DSM 639 1-phenylethanol + NAD+
-
 ?
benzil + NADH + H+ 62% of the activity compared to 1-phenyl-1,2-propanedione. The enzyme catalyses the asymmetric reduction of benzil to (R)-benzoin with both excellent conversion (98%) and optical purity (98%) by way of an efficient in situ NADH-recycling system involving a second thermophilic ADH Sulfolobus acidocaldarius (R)-benzoin + NAD+
-
 ?
cycloheptanol + NAD+
-
 Sulfolobus acidocaldarius cycloheptanone + NADH + H+
-
 ?
cyclohexanone + NADH + H+
-
 Sulfolobus acidocaldarius cyclohexanol + NAD+
-
 ?
cyclohexanone + NADH + H+
-
 Sulfolobus acidocaldarius DSM 639 cyclohexanol + NAD+
-
 ?
cyclopentanol + NAD+ 55% of the activity compared to isoborneol Sulfolobus acidocaldarius cyclopentanone + NADH + H+
-
 ?
ethyl 3-methyl-2-oxobutyrate + NADH + H+ 1-phenyl-1,2-propanedione and ethyl 3-methyl-2-oxobutyrate are the best substrate in the reduction reaction Sulfolobus acidocaldarius ?
-
 ?
ethyl benzoylformate + NADH + H+ 23% of the activity compared to 1-phenyl-1,2-propanedione Sulfolobus acidocaldarius ?
-
 ?
ethyl pyruvate + NADH + H+ 16% of the activity compared to 1-phenyl-1,2-propanedione Sulfolobus acidocaldarius ethyl 2-hydroxypropionate + NAD+
-
 ?
isoborneol + NAD+ isoborneol is the best substrate in the oxidation reaction Sulfolobus acidocaldarius ?
-
 ?
additional information the enzyme displays a preference for the reduction of alicyclic, bicyclic and aromatic ketones and alpha-ketoesters, but is poorly active on aliphatic, cyclic and aromatic alcohols, showing no activity on aldehydes Sulfolobus acidocaldarius ?
-
 ?
additional information the enzyme displays a preference for the reduction of alicyclic, bicyclic and aromatic ketones and alpha-ketoesters, but is poorly active on aliphatic, cyclic and aromatic alcohols, showing no activity on aldehydes Sulfolobus acidocaldarius DSM 639 ?
-
 ?
tetralin-1-ol + NAD+ 51% of the activity compared to isoborneol Sulfolobus acidocaldarius 3,4-dihydronaphthalen-1(2H)-one + NADH + H+
-
 ?

Subunits

Subunits Comment Organism
tetramer 4 * 29000, SDS-PAGE Sulfolobus acidocaldarius
tetramer 4 * 27024, ESI-MS analysis Sulfolobus acidocaldarius

Synonyms

Synonyms Comment Organism
SaADH2
-
 Sulfolobus acidocaldarius

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
65
-
 assay at Sulfolobus acidocaldarius
78
-
 the reaction rate increases up to 78°C and then decreases rapidly due to thermal inactivation Sulfolobus acidocaldarius

Temperature Range [°C]

Temperature Minimum [°C] Temperature Maximum [°C] Comment Organism
65 85 65°C: about 60% of maximal activity, 85°C: about 70% of maximal activity Sulfolobus acidocaldarius

Temperature Stability [°C]

Temperature Stability Minimum [°C] Temperature Stability Maximum [°C] Comment Organism
75
-
 30 min, stable up to Sulfolobus acidocaldarius
88
-
 30-min half-inactivation temperature Sulfolobus acidocaldarius

Turnover Number [1/s]

Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
0.65
-
 2,2-dichloroacetophenone 65°C, pH 5.0 Sulfolobus acidocaldarius
1.6
-
 benzil 65°C, pH 5.0 Sulfolobus acidocaldarius
1.7
-
 2,2,2-trifluoroacetophenone 65°C, pH 5.0 Sulfolobus acidocaldarius
1.9
-
 ethyl benzoylformate 65°C, pH 5.0 Sulfolobus acidocaldarius
3.2
-
 2',3',4',5',6'-pentafluoroacetophenone 65°C, pH 5.0 Sulfolobus acidocaldarius
5.3
-
 1-phenyl-1,2-propanedione 65°C, pH 5.0 Sulfolobus acidocaldarius
6.2
-
 1-Indanol 65°C, pH 10.5 Sulfolobus acidocaldarius
7
-
 cycloheptanol 65°C, pH 10.5 Sulfolobus acidocaldarius
9.6
-
 tetralin-1-ol 65°C, pH 10.5 Sulfolobus acidocaldarius
16.6
-
 isoborneol 65°C, pH 10.5 Sulfolobus acidocaldarius
19.3
-
 NAD+ 65°C, pH 10.5 Sulfolobus acidocaldarius
26
-
 ethyl 3-methyl-2-oxobutyrate 65°C, pH 5.0 Sulfolobus acidocaldarius
26.2
-
 NADH 65°C, pH 5.0 Sulfolobus acidocaldarius

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
5
-
 ketone reduction reaction Sulfolobus acidocaldarius
10
-
 alcohol oxidation reaction Sulfolobus acidocaldarius

Cofactor

Cofactor Comment Organism Structure
NAD+ strict requirement for NAD(H) as the coenzyme, no activity with NADP+. The specificity constant value is 6fold higher for NADH than NAD+ Sulfolobus acidocaldarius
NADH strict requirement for NAD(H) as the coenzyme, no activity with NADPH. The specificity constant value is 6fold higher for NADH than NAD+ Sulfolobus acidocaldarius

kcat/KM [mM/s]

kcat/KM Value [1/mMs-1] kcat/KM Value Maximum [1/mMs-1] Substrate Comment Organism Structure
0.27
-
 2,2,2-trifluoroacetophenone 65°C, pH 5.0 Sulfolobus acidocaldarius
0.27
-
 2',3',4',5',6'-pentafluoroacetophenone 65°C, pH 5.0 Sulfolobus acidocaldarius
0.45
-
 ethyl benzoylformate 65°C, pH 5.0 Sulfolobus acidocaldarius
0.71
-
 1-Indanol 65°C, pH 10.5 Sulfolobus acidocaldarius
1.06
-
 1-phenyl-1,2-propanedione 65°C, pH 5.0 Sulfolobus acidocaldarius
1.13
-
 tetralin-1-ol 65°C, pH 10.5 Sulfolobus acidocaldarius
1.37
-
 cycloheptanol 65°C, pH 10.5 Sulfolobus acidocaldarius
1.57
-
 ethyl 3-methyl-2-oxobutyrate 65°C, pH 5.0 Sulfolobus acidocaldarius
3.72
-
 benzil 65°C, pH 5.0 Sulfolobus acidocaldarius
5.91
-
 2,2-dichloroacetophenone 65°C, pH 5.0 Sulfolobus acidocaldarius
20.5
-
 isoborneol 65°C, pH 10.5 Sulfolobus acidocaldarius
107
-
 NAD+ 65°C, pH 10.5 Sulfolobus acidocaldarius
655
-
 NADH 65°C, pH 5.0 Sulfolobus acidocaldarius