Activity data - for SMO enzymes

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Reaction
Enzyme type
Enzyme name
Data source
Substrate 1 SMILES
Product 1 SMILES
Selectivity
Binary
Categorical
Conversion (%)
Temperature
pH
Solvent
Other conditions
Notes
Reaction volume (ml)
Biocatalyst Formulation
Biocatalyst Concentration (mg/ml)
Enz MW (Da)
Substrate 1 conc (mM)
Conversion time (hrs)
Alkene oxidation
SMO
RhSMO
 
True
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
78 % ee S
True
Medium
12
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
95 % ee S
True
Medium
22
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
84 % ee S
True
Low
8
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
87 % ee S
True
Low
1
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
99 % ee S (2S)
True
Medium
10
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
98 % ee S (2S, 5S)
True
Medium
21
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
92 % ee S
True
Low
4
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
99 % ee S (2S, 3S)
True
Medium
47
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
64 % ee S (2R, 3S)
True
Medium
26
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
80 % ee S (3S, 4S)
True
Low
2
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
90 % ee S
True
Medium
12
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
90 % ee
True
Medium
53
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
96 % ee S
True
Medium
18
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
99 % ee S
True
Low
9
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
99 % ee S
True
Medium
28
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
99 % ee S
True
Low
9
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
 
True
Low
1
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
87 % ee S
True
Low
1
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24
Alkene oxidation
SMO
RhSMO
91 % ee S
True
Medium
17
25
7.5
water, hexyl acetate
20 % w/v whole cells in 50 mM potassium phosphate buffer containing 1 mM NAD+ and 0.2 mM FAD (1 mL). Cell suspension, 200 mM organic solvent solution of the substrate (1 mL) and 0.12 mL 2-propanol transferred to 50 mL tube. Tube was then filled with pure oxygen, reaction performed at 300 rpm
Whole cells. LSADH was used (co-expressed) to recycle NADH cofactor
2.12
whole cell
200
 
100
24