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Literature summary extracted from

  • McCarthy, A.A.; McCarthy, J.G.
    The structure of two N-methyltransferases from the caffeine biosynthetic pathway (2007), Plant Physiol., 144, 879-889.
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

EC Number Cloned (Comment) Organism
2.1.1.158 expression in Escherichia coli Coffea canephora
2.1.1.159 expression in Escherichia coli Coffea canephora
2.1.1.160 expression in Escherichia coli Coffea canephora

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.1.1.158 purified recombinant wild-type and selenomethionine-labeled XMT, 23-28% PEG 3350, 0.2 M LiCl, 0.1 M Tris-HCl, pH 8.5-8.7, 2 mM DTT, 2 mM S-adenosyl-L-cysteine, and 2 mM xanthosine, 1-3 days, 20°C, plate-like crystals, X-ray diffraction structure determination and analysis at 2.2 A resolution Coffea canephora
2.1.1.159 purified recombinant wild-type and selenomethionine-labeled DXMT, 23-28% PEG 3350, 0.2 M LiCl, 0.1 M Tris-HCl, pH 8.5-8.7, 2 mM DTT, 2 mM S-adenosyl-L-cysteine, and 2 mM theobromine, 1-3 days, 20°C, plate-like crystals, X-ray diffraction structure determination and analysis at 2.0-2.7 A resolution, molecular replacement Coffea canephora
2.1.1.160 purified recombinant wild-type and selenomethionine-labeled DXMT, 23-28% PEG 3350, 0.2 M LiCl, 0.1 M Tris-HCl, pH 8.5-8.7, 2 mM DTT, 2 mM S-adenosyl-L-cysteine, and 2 mM theobromine, 1-3 days, 20°C, plate-like crystals, X-ray diffraction structure determination and analysis at 2.0-2.7 A resolution, molecular replacement Coffea canephora

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
2.1.1.158 Mg2+
-
 Coffea canephora
2.1.1.159 Mg2+
-
 Coffea canephora
2.1.1.160 Mg2+
-
 Coffea canephora

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.1.1.158 S-adenosyl-L-methionine + xanthosine Coffea canephora
-
 S-adenosyl-L-homocysteine + 7-methylxanthosine
-
 ir
2.1.1.159 S-adenosyl-L-methionine + 3,7-dimethylxanthine Coffea canephora
-
 S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
-
 ?
2.1.1.159 S-adenosyl-L-methionine + 7-methylxanthine Coffea canephora
-
 S-adenosyl-L-homocysteine + 3,7-dimethylxanthine i.e. theobromine ?
2.1.1.160 S-adenosyl-L-methionine + 3,7-dimethylxanthine Coffea canephora
-
 S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.1.1.158 Coffea canephora A4GE69 var. Robusta
-
2.1.1.159 Coffea canephora
-
 var. robusta, bifunctional enzyme
-
2.1.1.160 Coffea canephora A4GE70 var. robusta, bifunctional enzyme
-

Reaction

EC Number Reaction Comment Organism Reaction ID
2.1.1.158 S-adenosyl-L-methionine + xanthosine = S-adenosyl-L-homocysteine + 7-methylxanthosine a catalytic residue is Gln161, cosubstrate and substrate binding site structures involving the Ser316 for xanthosine recognition, overview Coffea canephora
a
2.1.1.159 S-adenosyl-L-methionine + 7-methylxanthine = S-adenosyl-L-homocysteine + 3,7-dimethylxanthine + H+ residues His160, and Phe266 are involved in catalysis, cosubstrate and substrate binding site structures, overview Coffea canephora
a
2.1.1.160 S-adenosyl-L-methionine + 3,7-dimethylxanthine = S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine residues His160, and Phe266 are involved in catalysis, cosubstrate and substrate binding site structures, overview Coffea canephora
a

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.1.1.158 S-adenosyl-L-methionine + xanthosine
-
 Coffea canephora S-adenosyl-L-homocysteine + 7-methylxanthosine
-
 ir
2.1.1.159 additional information the bifunctional enzyme also catalyzes the reaction of the caffeine synthase, EC 2.1.1.160 Coffea canephora ?
-
 ?
2.1.1.159 S-adenosyl-L-methionine + 3,7-dimethylxanthine
-
 Coffea canephora S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
-
 ?
2.1.1.159 S-adenosyl-L-methionine + 3,7-dimethylxanthine
-
 Coffea canephora S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine i.e. caffeine ?
2.1.1.159 S-adenosyl-L-methionine + 7-methylxanthine
-
 Coffea canephora S-adenosyl-L-homocysteine + 3,7-dimethylxanthine i.e. theobromine ?
2.1.1.160 additional information the bifunctional enzyme also catalyzes the reaction of the theobromine synthase, EC 2.1.1.159 Coffea canephora ?
-
 ?
2.1.1.160 S-adenosyl-L-methionine + 3,7-dimethylxanthine
-
 Coffea canephora S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
-
 ?
2.1.1.160 S-adenosyl-L-methionine + 3,7-dimethylxanthine
-
 Coffea canephora S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine i.e. caffeine ?

Synonyms

EC Number Synonyms Comment Organism
2.1.1.158 xanthosine methyltransferase
-
 Coffea canephora
2.1.1.158 XMT
-
 Coffea canephora
2.1.1.159 3,7-dimethylxanthine methyltransferase
-
 Coffea canephora
2.1.1.159 DXMT
-
 Coffea canephora
2.1.1.160 3,7-dimethylxanthine methyltransferase
-
 Coffea canephora
2.1.1.160 DXMT
-
 Coffea canephora

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
2.1.1.158 37
-
 assay at Coffea canephora
2.1.1.159 37
-
 assay at Coffea canephora
2.1.1.160 37
-
 assay at Coffea canephora

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
2.1.1.158 7.9
-
 assay at Coffea canephora
2.1.1.159 7.9
-
 assay at Coffea canephora
2.1.1.160 7.9
-
 assay at Coffea canephora