Literature summary extracted from

Roberts, M.F.; Waller, G.R.
N-methyltransferases and 7-methyl-N9-nucleoside hydrolase activity in Coffea arabica and the biosynthesis of caffeine (1979), Phytochemistry, 18, 451-455.

No PubMed abstract available

Activating Compound

EC Number	Activating Compound	Comment	Organism	Structure
2.1.1.159	paraxanthine	i.e. 1,7-dimethylxanthine, slight stimulation	Coffea arabica
2.1.1.160	paraxanthine	i.e. 1,7-dimethylxanthine, slight stimulation	Coffea arabica

Inhibitors

EC Number	Inhibitors	Comment	Organism	Structure
2.1.1.159	4-chloromercuribenzoate	complete inhibition at 0.5 mM, 30% inhibition at 0.05 mM	Coffea arabica
2.1.1.159	azouracil	20% inhibition at 0.1 mM, 28% inhibition at 1 mM	Coffea arabica
2.1.1.159	iodoacetate	complete inhibition at 100 mM, 79% inhibition at 10 mM	Coffea arabica
2.1.1.159	KCN	88% inhibition at 100 mM, 44% inhibition at 10 mM	Coffea arabica
2.1.1.159	additional information	no or poor inhibition by EDTA at 0.5-5 mM	Coffea arabica
2.1.1.159	N-Methylmaleimide	complete inhibition at 1 mM, 17% inhibition at 0.1 mM	Coffea arabica
2.1.1.159	NaN3	39% inhibition at 10 mM, 10% at 1 mM	Coffea arabica
2.1.1.160	4-chloromercuribenzoate	complete inhibition at 0.5 mM, 23% inhibition at 0.05 mM	Coffea arabica
2.1.1.160	azouracil	18% inhibition at 0.1 mM, no inhibition at 1 mM	Coffea arabica
2.1.1.160	iodoacetate	complete inhibition at 100 mM, 89% inhibition at 10 mM	Coffea arabica
2.1.1.160	KCN	74% inhibition at 100 mM, but 33% activation at 10 mM	Coffea arabica
2.1.1.160	additional information	no inhibition by EDTA at 0.5-5 mM	Coffea arabica
2.1.1.160	N-Methylmaleimide	complete inhibition at 1 mM, no inhibition at 0.1 mM	Coffea arabica
2.1.1.160	NaN3	22% inhibition at 10 mM, 16% at 1 mM	Coffea arabica

KM Value [mM]

EC Number	KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
2.1.1.159	0.01	-	S-adenosyl-L-methionine	pH 8.5, 30°C	Coffea arabica
2.1.1.159	0.07	-	paraxanthine	pH 8.5, 30°C	Coffea arabica
2.1.1.159	0.2	-	7-methylxanthine	pH 8.5, 30°C	Coffea arabica
2.1.1.160	0.01	-	S-adenosyl-L-methionine	pH 8.5, 30°C	Coffea arabica
2.1.1.160	0.2	-	Theobromine	pH 8.5, 30°C	Coffea arabica

Metals/Ions

EC Number	Metals/Ions	Comment	Organism	Structure
2.1.1.159	Mg2+	activates	Coffea arabica
2.1.1.160	KCN	74% inhibition at 100 mM, but 33% activation at 10 mM	Coffea arabica
2.1.1.160	Mg2+	activates	Coffea arabica
3.2.2.25	Mg2+	slightly stimulating	Coffea arabica

Natural Substrates/ Products (Substrates)

EC Number	Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
2.1.1.159	additional information	Coffea arabica	feeding experiments with fruit samples, determination of reaction products, overview	?	-	?
2.1.1.159	S-adenosyl-L-methionine + 1,7-dimethylxanthine	Coffea arabica	i.e. paraxanthine	S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine	i.e. caffeine	?
2.1.1.159	S-adenosyl-L-methionine + 7-methylxanthine	Coffea arabica	second step in caffeine biosynthesis pathway	S-adenosyl-L-homocysteine + 3,7-dimethylxanthine	i.e. theobromine	?
2.1.1.160	additional information	Coffea arabica	feeding experiments with fruit samples, determination of reaction products, overview	?	-	?
2.1.1.160	S-adenosyl-L-methionine + 3,7-dimethylxanthine	Coffea arabica	last step in caffeine biosynthesis pathway	S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine	i.e. caffeine	?
3.2.2.25	7-methylxanthosine + H2O	Coffea arabica	step in caffeine biosynthesis, feeding experiments, overview	7-methylxanthine + D-ribose	-	?

Organism

EC Number	Organism	UniProt	Comment	Textmining
2.1.1.159	Coffea arabica	-	-	-
2.1.1.160	Coffea arabica	-	-	-
3.2.2.25	Coffea arabica	-	-	-

Source Tissue

EC Number	Source Tissue	Comment	Organism	Textmining
2.1.1.159	fruit	unripe, green	Coffea arabica	-
2.1.1.160	fruit	unripe, green	Coffea arabica	-
3.2.2.25	fruit	immature and ripe	Coffea arabica	-
3.2.2.25	seedling	-	Coffea arabica	-

Specific Activity [micromol/min/mg]

EC Number	Specific Activity Minimum [µmol/min/mg]	Specific Activity Maximum [µmol/min/mg]	Comment	Organism
2.1.1.159	additional information	-	substrate specificity, overview	Coffea arabica
2.1.1.160	additional information	-	substrate specificity, overview	Coffea arabica

Substrates and Products (Substrate)

EC Number	Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
2.1.1.159	additional information	feeding experiments with fruit samples, determination of reaction products, overview	Coffea arabica	?	-	?
2.1.1.159	additional information	substrate specificity, overview, no activity with xanthine, hypoxanthine, and xanthosine	Coffea arabica	?	-	?
2.1.1.159	S-adenosyl-L-methionine + 1,7-dimethylxanthine	i.e. paraxanthine	Coffea arabica	S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine	i.e. caffeine	?
2.1.1.159	S-adenosyl-L-methionine + 7-methylxanthine	-	Coffea arabica	S-adenosyl-L-homocysteine + 3,7-dimethylxanthine	i.e. theobromine	?
2.1.1.159	S-adenosyl-L-methionine + 7-methylxanthine	second step in caffeine biosynthesis pathway	Coffea arabica	S-adenosyl-L-homocysteine + 3,7-dimethylxanthine	i.e. theobromine	?
2.1.1.160	additional information	feeding experiments with fruit samples, determination of reaction products, overview	Coffea arabica	?	-	?
2.1.1.160	additional information	substrate specificity, overview, no activity with xanthine, hypoxanthine, and xanthosine	Coffea arabica	?	-	?
2.1.1.160	S-adenosyl-L-methionine + 3,7-dimethylxanthine	-	Coffea arabica	S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine	i.e. caffeine	?
2.1.1.160	S-adenosyl-L-methionine + 3,7-dimethylxanthine	last step in caffeine biosynthesis pathway	Coffea arabica	S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine	i.e. caffeine	?
3.2.2.25	7-methylxanthosine + H2O	-	Coffea arabica	7-methylxanthine + D-ribose	-	?
3.2.2.25	7-methylxanthosine + H2O	step in caffeine biosynthesis, feeding experiments, overview	Coffea arabica	7-methylxanthine + D-ribose	-	?

Synonyms

EC Number	Synonyms	Comment	Organism
3.2.2.25	7-methyl-N9-nucleoside hydrolase	-	Coffea arabica

Temperature Optimum [°C]

EC Number	Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
2.1.1.159	30	-	assay at	Coffea arabica
2.1.1.160	30	-	assay at	Coffea arabica
3.2.2.25	30	-	assay at	Coffea arabica

pH Optimum

EC Number	pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
2.1.1.159	8.5	-	narrow pH optimum	Coffea arabica
2.1.1.160	8.5	-	narrow pH optimum	Coffea arabica
3.2.2.25	8.5	-	assay at	Coffea arabica

pH Range

EC Number	pH Minimum	pH Maximum	Comment	Organism
2.1.1.159	additional information	-	pH profile	Coffea arabica
2.1.1.160	additional information	-	pH profile	Coffea arabica

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Release 2023.1 (January 2023)