Literature summary for 3.1.6.6 extracted from

van Loo, B.; Schober, M.; Valkov, E.; Heberlein, M.; Bornberg-Bauer, E.; Faber, K.; Hyvoenen, M.; Hollfelder, F.
Structural and mechanistic analysis of the choline sulfatase from Sinorhizobium melliloti A class I sulfatase specific for an alkyl sulfate ester (2018), J. Mol. Biol., 430, 1004-1023 .

Search for more literature for 3.1.6.6

Cloned(Commentary)

Cloned (Comment)	Organism
expression in Escherichia coli	Sinorhizobium meliloti

Crystallization (Commentary)

Crystallization (Comment)	Organism
structure to 2.8 A resolution, shows a buried, largely hydrophobic active site. Conserved residue Glu386 plays a role in recognition of the quaternary ammonium group of the choline substrate	Sinorhizobium meliloti

Protein Variants

Protein Variants	Comment	Organism
C54S	mutation in active site residue, significant decrease in activity	Sinorhizobium meliloti
E386L	mutation in active site residue, significant decrease in activity	Sinorhizobium meliloti
H104A	mutation in active site residue, significant decrease in activity	Sinorhizobium meliloti

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
0.5	-	choline O-sulfate	wild-type, pH 7.6, 25°C	Sinorhizobium meliloti
2.1	-	phosphoryl choline	wild-type, pH 7.6, 25°C	Sinorhizobium meliloti
9.4	-	choline O-sulfate	mutant C54S, pH 7.6, 25°C	Sinorhizobium meliloti
13.3	-	choline O-sulfate	mutant H104A, pH 7.6, 25°C	Sinorhizobium meliloti
15	-	choline O-sulfate	mutant E386L, pH 7.6, 25°C	Sinorhizobium meliloti
19	-	4-nitrophenyl sulfate	wild-type, pH 7.6, 25°C	Sinorhizobium meliloti
50	-	4-nitrophenyl methylphosphate	wild-type, pH 6.0, 25°C	Sinorhizobium meliloti
67	-	4-nitrophenyl methylphosphonate	wild-type, pH 6.0, 25°C	Sinorhizobium meliloti

Organism

Organism	UniProt	Comment	Textmining
Sinorhizobium meliloti	O69787	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
4-nitrophenyl methylphosphate + H2O	-	Sinorhizobium meliloti	4-nitrophenol + methylphosphate	-	?
4-nitrophenyl methylphosphonate + H2O	-	Sinorhizobium meliloti	4-nitrophenol + phosphonate	-	?
4-nitrophenyl phosphate + H2O	-	Sinorhizobium meliloti	4-nitrophenol + phosphate	-	?
4-nitrophenyl sulfate + H2O	-	Sinorhizobium meliloti	4-nitrophenol + sulfate	-	?
choline O-sulfate + H2O	-	Sinorhizobium meliloti	choline + sulfate	-	?
phosphoryl choline + H2O	-	Sinorhizobium meliloti	choline + phosphate	-	?

Synonyms

Synonyms	Comment	Organism
BetC	-	Sinorhizobium meliloti

Turnover Number [1/s]

Turnover Number Minimum [1/s]	Turnover Number Maximum [1/s]	Substrate	Comment	Organism	Structure
0.004	-	4-nitrophenyl methylphosphate	wild-type, pH 6.0, 25°C	Sinorhizobium meliloti
0.011	-	choline O-sulfate	mutant C54S, pH 7.6, 25°C	Sinorhizobium meliloti
0.012	-	choline O-sulfate	mutant E386L, pH 7.6, 25°C	Sinorhizobium meliloti
0.027	-	phosphoryl choline	wild-type, pH 7.6, 25°C	Sinorhizobium meliloti
0.035	-	choline O-sulfate	mutant H104A, pH 7.6, 25°C	Sinorhizobium meliloti
0.1	-	4-nitrophenyl methylphosphonate	wild-type, pH 6.0, 25°C	Sinorhizobium meliloti
0.22	-	4-nitrophenyl sulfate	wild-type, pH 7.6, 25°C	Sinorhizobium meliloti
2.4	-	choline O-sulfate	wild-type, pH 7.6, 25°C	Sinorhizobium meliloti

kcat/KM [mM/s]

kcat/KM Value [1/mMs^-1]	kcat/KM Value Maximum [1/mMs^-1]	Substrate	Comment	Organism	Structure
0.00008	-	4-nitrophenyl methylphosphate	wild-type, pH 6.0, 25°C	Sinorhizobium meliloti
0.0008	-	choline O-sulfate	mutant E386L, pH 7.6, 25°C	Sinorhizobium meliloti
0.0012	-	choline O-sulfate	mutant C54S, pH 7.6, 25°C	Sinorhizobium meliloti
0.0015	-	4-nitrophenyl methylphosphonate	wild-type, pH 6.0, 25°C	Sinorhizobium meliloti
0.0026	-	choline O-sulfate	mutant H104A, pH 7.6, 25°C	Sinorhizobium meliloti
0.012	-	4-nitrophenyl sulfate	wild-type, pH 7.6, 25°C	Sinorhizobium meliloti
0.013	-	phosphoryl choline	wild-type, pH 7.6, 25°C	Sinorhizobium meliloti
4.8	-	choline O-sulfate	wild-type, pH 7.6, 25°C	Sinorhizobium meliloti

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Release 2023.1 (January 2023)