Literature summary for 1.1.1.433 extracted from

Zhou, Y.; Wei, Y.; Nanjaraj Urs, A.N.; Lin, L.; Xu, T.; Hu, Y.; Ang, E.L.; Zhao, H.; Yuchi, Z.; Zhang, Y.
Identification and characterization of a new sulfoacetaldehyde reductase from the human gut bacterium Bifidobacterium kashiwanohense (2019), Biosci. Rep., 39, BSR20190715 .

Search for more literature for 1.1.1.433

Cloned(Commentary)

Cloned (Comment)	Organism
expression in Escherichia coli	Bifidobacterium catenulatum subsp. kashiwanohense
gene sarD, genetic structure	Bilophila wadsworthia
gene tauF, genetic structure, sequence comparisons, recombinant expression as His6-MBP-tagged enzyme in Escherichia coli strain BL21(DE3) from HMT-GGG-BkTauF plasmid	Bifidobacterium catenulatum subsp. kashiwanohense

Crystallization (Commentary)

Crystallization (Comment)	Organism
purifed recombinant BkTauF in the apo form and in a binary complex with NAD+, hanging drop vapor diffusion method, mixing of 10 mg/ml protein in 20 mM Tris, pH 7.5, 200 mM KCl, 1 mM DTT, with reservoir solution containing 0.2 M ammonium acetate, 0.1 M Bis-Tris, pH 5.5, and 25% w/v PEG 3350, 22°C, method optimization, X-ray diffraction structure determination and analysis at 1.9 and 3.0 A resolution, respectively, molecular replacement using structure with PDB ID 1VHD as a search model, modeling	Bifidobacterium catenulatum subsp. kashiwanohense
structures in the apo form and in a binary complex with NAD+ at 1.9 and 3.0 A resolution, respectively	Bifidobacterium catenulatum subsp. kashiwanohense

Crystallization (Comment)

Organism

purifed recombinant BkTauF in the apo form and in a binary complex with NAD+, hanging drop vapor diffusion method, mixing of 10 mg/ml protein in 20 mM Tris, pH 7.5, 200 mM KCl, 1 mM DTT, with reservoir solution containing 0.2 M ammonium acetate, 0.1 M Bis-Tris, pH 5.5, and 25% w/v PEG 3350, 22°C, method optimization, X-ray diffraction structure determination and analysis at 1.9 and 3.0 A resolution, respectively, molecular replacement using structure with PDB ID 1VHD as a search model, modeling

Bifidobacterium catenulatum subsp. kashiwanohense

structures in the apo form and in a binary complex with NAD+ at 1.9 and 3.0 A resolution, respectively

Bifidobacterium catenulatum subsp. kashiwanohense

Protein Variants

Protein Variants	Comment	Organism
F252A	site-directed mutagenesis, the mutant shows 78% reduced activity for isethionate oxidation compared to wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
F252A	mutant retains approximately 28% of the wild-type activity	Bifidobacterium catenulatum subsp. kashiwanohense
F265A	almost complete loss of activity	Bifidobacterium catenulatum subsp. kashiwanohense
F265A	site-directed mutagenesis, the mutant shows highly reduced activity for isethionate oxidation compared to wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
T257A	almost complete loss of activity	Bifidobacterium catenulatum subsp. kashiwanohense
T257A	site-directed mutagenesis, the mutant shows highly reduced activity for isethionate oxidation compared to wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense

Inhibitors

Inhibitors	Comment	Organism	Structure
EDTA	complete inhibition; complete loss of activity. Activity is recovered up to 85% by addition of Zn2+ and 15% by addition of Fe2+	Bifidobacterium catenulatum subsp. kashiwanohense

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism
additional information	-	additional information	Michaelis-Menten kinetics	Bifidobacterium catenulatum subsp. kashiwanohense
0.06	-	NADH	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
0.06	-	NADH	pH 7.5, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense
0.08	-	NAD+	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
0.08	-	NAD+	pH 10, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense
0.5	-	2-sulfoacetaldehyde	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
0.5	-	2-sulfoacetaldehyde	pH 7.5, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense
0.73	-	NADPH	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
0.77	-	NADP+	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
4.44	-	isethionate	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
4.44	-	isethionate	pH 10, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense

Metals/Ions

Metals/Ions	Comment	Organism
Fe2+	activates, can partially substitute for Zn2+	Bifidobacterium catenulatum subsp. kashiwanohense
additional information	catalytic activity of BkTauF is abolished by chelation with EDTA, and recovered up to 85% by addition of Zn2+ and 15% by addition of Fe2+, suggesting that the physiological metal cofactor for BkTauF is Zn2+	Bifidobacterium catenulatum subsp. kashiwanohense
Zn2+	-	Bifidobacterium catenulatum subsp. kashiwanohense
Zn2+	required	Bifidobacterium catenulatum subsp. kashiwanohense

Molecular Weight [Da]

Molecular Weight [Da]	Molecular Weight Maximum [Da]	Comment	Organism
83000	-	gel filtration	Bifidobacterium catenulatum subsp. kashiwanohense
83000	-	recombinant enzyme, gel filtration	Bifidobacterium catenulatum subsp. kashiwanohense

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.
2-sulfoacetaldehyde + NADH + H+	Bilophila wadsworthia	-	isethionate + NAD+	-	r
2-sulfoacetaldehyde + NADH + H+	Bifidobacterium catenulatum subsp. kashiwanohense	-	isethionate + NAD+	-	r
2-sulfoacetaldehyde + NADH + H+	Bilophila wadsworthia 3_1_6	-	isethionate + NAD+	-	r
2-sulfoacetaldehyde + NADH + H+	Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	-	isethionate + NAD+	-	r
2-sulfoacetaldehyde + NADPH + H+	Bifidobacterium catenulatum subsp. kashiwanohense	-	isethionate + NADP+	-	r
2-sulfoacetaldehyde + NADPH + H+	Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	-	isethionate + NADP+	-	r

Organism

Organism	UniProt	Comment	Textmining
Bifidobacterium catenulatum subsp. kashiwanohense	-	-	-
Bifidobacterium catenulatum subsp. kashiwanohense	A0A0A7I0A5	-	-
Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	-	-	-
Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	A0A0A7I0A5	-	-
Bilophila wadsworthia	E5Y946	-	-
Bilophila wadsworthia 3_1_6	E5Y946	-	-

Purification (Commentary)

Purification (Comment)	Organism
recombinant His6-MBP-tagged enzyme from Escherichia coli strain BL21(DE3) by streptomycin sulfate, dialysis, amylose affinity chromatography, followed by MBP-tag cleavage through TEV protease, dialysis, and nickel affinity chromatography, anion exchange chromatography, and gel filtration	Bifidobacterium catenulatum subsp. kashiwanohense

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.
2-sulfoacetaldehyde + NADH + H+	-	Bilophila wadsworthia	isethionate + NAD+	-	r
2-sulfoacetaldehyde + NADH + H+	-	Bifidobacterium catenulatum subsp. kashiwanohense	isethionate + NAD+	-	r
2-sulfoacetaldehyde + NADH + H+	the reduction reaction direction is preferred by the enzyme	Bifidobacterium catenulatum subsp. kashiwanohense	isethionate + NAD+	-	r
2-sulfoacetaldehyde + NADH + H+	-	Bilophila wadsworthia 3_1_6	isethionate + NAD+	-	r
2-sulfoacetaldehyde + NADH + H+	-	Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	isethionate + NAD+	-	r
2-sulfoacetaldehyde + NADH + H+	the reduction reaction direction is preferred by the enzyme	Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	isethionate + NAD+	-	r
2-sulfoacetaldehyde + NADPH + H+	-	Bifidobacterium catenulatum subsp. kashiwanohense	isethionate + NADP+	-	r
2-sulfoacetaldehyde + NADPH + H+	-	Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	isethionate + NADP+	-	r
3-hydroxypropane-1-sulfonate + NAD+	-	Bifidobacterium catenulatum subsp. kashiwanohense	? + NADH + H+	-	?
3-hydroxypropane-1-sulfonate + NAD+	low activity	Bifidobacterium catenulatum subsp. kashiwanohense	? + NADH + H+	-	?
3-hydroxypropane-1-sulfonate + NAD+	low activity	Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	? + NADH + H+	-	?
3-hydroxypropane-1-sulfonate + NAD+	-	Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	? + NADH + H+	-	?
3-hydroxypropionate + NAD+	-	Bifidobacterium catenulatum subsp. kashiwanohense	? + NADH + H+	-	?
3-hydroxypropionate + NAD+	-	Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	? + NADH + H+	-	?
3-hydroxypropionic acid + NAD+	moderate to low activity	Bifidobacterium catenulatum subsp. kashiwanohense	? + NADH + H+	-	?
isethionate + NAD+	-	Bifidobacterium catenulatum subsp. kashiwanohense	2-sulfoacetaldehyde + NADH + H+	-	r
isethionate + NAD+	-	Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	2-sulfoacetaldehyde + NADH + H+	-	r
isethionate + NADP+	-	Bifidobacterium catenulatum subsp. kashiwanohense	2-sulfoacetaldehyde + NADPH + H+	-	r
additional information	substrate specificity, no activity with ethanol, ethylene glycol, and ethanolamine	Bifidobacterium catenulatum subsp. kashiwanohense	?	-	-
additional information	no substrates: ethanol, ethylene glycol, or ethanolamine	Bifidobacterium catenulatum subsp. kashiwanohense	?	-	-
additional information	substrate specificity, no activity with ethanol, ethylene glycol, and ethanolamine	Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	?	-	-
additional information	no substrates: ethanol, ethylene glycol, or ethanolamine	Bifidobacterium catenulatum subsp. kashiwanohense PV20-2	?	-	-

Subunits

Subunits	Comment	Organism
dimer	2 * 41000, SDS-PAGE	Bifidobacterium catenulatum subsp. kashiwanohense
homodimer	2 * 41000, recombinant enzyme, SDS-PAGE	Bifidobacterium catenulatum subsp. kashiwanohense

Synonyms

Synonyms	Comment	Organism
AH68_00250	-	Bifidobacterium catenulatum subsp. kashiwanohense
BkTauF	-	Bifidobacterium catenulatum subsp. kashiwanohense
BwSarD	-	Bilophila wadsworthia
sarD	-	Bifidobacterium catenulatum subsp. kashiwanohense
sarD	-	Bilophila wadsworthia
tauF	-	Bifidobacterium catenulatum subsp. kashiwanohense
tauF	-	Bilophila wadsworthia

Temperature Optimum [°C]

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
30	-	assay at	Bifidobacterium catenulatum subsp. kashiwanohense

Turnover Number [1/s]

Turnover Number Minimum [1/s]	Turnover Number Maximum [1/s]	Substrate	Comment	Organism
0.8	-	NADP+	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
0.97	-	isethionate	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
0.97	-	isethionate	pH 10, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense
1.3	-	NAD+	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
1.3	-	NAD+	pH 10, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense
18.67	-	NADH	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
18.67	-	NADH	pH 7.5, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense
18.99	-	NADPH	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
22.83	-	2-sulfoacetaldehyde	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
22.83	-	2-sulfoacetaldehyde	pH 7.5, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
7.5	-	sulfoacetaldehyde reduction	Bifidobacterium catenulatum subsp. kashiwanohense
10	-	assay at	Bifidobacterium catenulatum subsp. kashiwanohense
10	-	isethionate oxidation	Bifidobacterium catenulatum subsp. kashiwanohense

Cofactor

Cofactor	Comment	Organism
additional information	NADH/NAD+ is preferred before NADPH/NADP+ by the enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
additional information	enzyme accepts NADP+/NADPH, reaction of EC 1.1.1.313	Bifidobacterium catenulatum subsp. kashiwanohense
NAD+	-	Bilophila wadsworthia
NAD+	-	Bifidobacterium catenulatum subsp. kashiwanohense
NADH	-	Bilophila wadsworthia
NADH	-	Bifidobacterium catenulatum subsp. kashiwanohense
NADH	preferred cofactor	Bifidobacterium catenulatum subsp. kashiwanohense
NADP+	-	Bifidobacterium catenulatum subsp. kashiwanohense
NADPH	-	Bifidobacterium catenulatum subsp. kashiwanohense

General Information

General Information	Comment	Organism
evolution	sulfoacetaldehyde reductase from the human gut fermenting bacterium Bifidobacterium kashiwanohense (BkTauF) belongs to the M-ADH family, but is distantly related to BwSarD (28% sequence identity), a sulfoacetaldehyde reductase from human gut sulfite-reducing bacterium Bilophila wadsworthia belonging to the metal-dependent alcohol dehydrogenase superfamily (M-ADH). Conservation of active site residues (D192, Q196, F252, T257, H261, F265 and H275) in close homologues of BkTauF	Bifidobacterium catenulatum subsp. kashiwanohense
evolution	sulfoacetaldehyde reductase SarD, from human gut sulfite-reducing bacterium Bilophila wadsworthia belongs to the metal-dependent alcohol dehydrogenase superfamily (M-ADH). Sulfoacetaldehyde reductase from the human gut fermenting bacterium Bifidobacterium kashiwanohense (BkTauF) belongs to the M-ADH family, but is distantly related to BwSarD (28% sequence identity)	Bilophila wadsworthia
metabolism	the enzyme is involved in a pathway for taurine dissimilation, in which isethionate is generated as an intermediate, and further degraded to acetate and H2S instead of being secreted	Bilophila wadsworthia
additional information	the BktauF structure and sequence shows conservation in secondary structure, and metal-coordinating residues except that Gln196 is atypical in the M-ADH family, with His being more common at that position. The putative isethionate-binding site adjacent to the catalytic Zn2+ is very open, which precluded molecular docking, active site structure analysis, overview. The position of isethionate is constrained by the requirements of the M-ADH catalytic mechanism, which requires coordination of the hydroxyl O-atom to Zn2+, and hydride transfer from C1 of isethionate to C4 of the NAD+. Phe252, Thr257 and Phe265 surrounding the active-site cavity are identified as potential substrate-interacting residues	Bifidobacterium catenulatum subsp. kashiwanohense
physiological function	hydroxyethylsulfonate (isethionate (Ise)) is generated by the sulfoacetaldehyde reductases from human gut bacteria. Isethionate is thought to be derived from aminoethylsulfonate (taurine), as a byproduct of taurine nitrogen assimilation by certain anaerobic bacteria inhabiting the taurine-rich mammalian gut. Sulfoacetaldehyde reductases in Bifidobacteria have a possible role in isethionate production as a byproduct of taurine nitrogen assimilation	Bilophila wadsworthia
physiological function	hydroxyethylsulfonate (isethionate (Ise)) is generated by the sulfoacetaldehyde reductases from human gut bacteria. Isethionate is thought to be derived from aminoethylsulfonate (taurine), as a byproduct of taurine nitrogen assimilation by certain anaerobic bacteria inhabiting the taurine-rich mammalian gut. Sulfoacetaldehyde reductases in Bifidobacteria have a possible role in isethionate production as a byproduct of taurine nitrogen assimilation	Bifidobacterium catenulatum subsp. kashiwanohense

kcat/KM [mM/s]

kcat/KM Value [1/mMs^-1]	kcat/KM Value Maximum [1/mMs^-1]	Substrate	Comment	Organism
0.22	-	isethionate	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
0.22	-	isethionate	pH 10, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense
1.04	-	NADP+	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
15.8	-	NAD+	pH 10, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense
16.25	-	NAD+	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
26.01	-	NADPH	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
45.66	-	2-sulfoacetaldehyde	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense
46.1	-	2-sulfoacetaldehyde	pH 7.5, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense
301	-	NADH	pH 7.5, temperature not specified in the publication	Bifidobacterium catenulatum subsp. kashiwanohense
311.17	-	NADH	pH 10.0, 30°C, recombinant wild-type enzyme	Bifidobacterium catenulatum subsp. kashiwanohense