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Information on EC 2.1.1.160 - caffeine synthase and Organism(s) Coffea canephora and UniProt Accession A4GE70

for references in articles please use BRENDA:EC2.1.1.160
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EC Tree
     2 Transferases
         2.1 Transferring one-carbon groups
             2.1.1 Methyltransferases
                2.1.1.160 caffeine synthase
IUBMB Comments
Paraxanthine is the best substrate for this enzyme but the paraxanthine pathway is considered to be a minor pathway for caffeine biosynthesis [2,3].
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This record set is specific for:
Coffea canephora
UNIPROT: A4GE70
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The taxonomic range for the selected organisms is: Coffea canephora
The enzyme appears in selected viruses and cellular organisms
Synonyms
caffeine synthase, tea caffeine synthase, tea caffeine synthase 1, 1-n-methyltransferase, n-1 methyltransferase, 7-n-methylxanthine methyltransferase, more
SYNONYM
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
3,7-dimethylxanthine methyltransferase
-
3,7-dimethylxanthine methyltransferase
-
-
REACTION
REACTION DIAGRAM
COMMENTARY hide
ORGANISM
UNIPROT
LITERATURE
S-adenosyl-L-methionine + 3,7-dimethylxanthine = S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
residues His160, and Phe266 are involved in catalysis, cosubstrate and substrate binding site structures, overview
SYSTEMATIC NAME
IUBMB Comments
S-adenosyl-L-methionine:3,7-dimethylxanthine N1-methyltransferase
Paraxanthine is the best substrate for this enzyme but the paraxanthine pathway is considered to be a minor pathway for caffeine biosynthesis [2,3].
CAS REGISTRY NUMBER
COMMENTARY hide
155215-94-4
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SUBSTRATE
PRODUCT                       
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate) hide
LITERATURE
(Substrate)
COMMENTARY
(Product) hide
LITERATURE
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
additional information
?
-
NATURAL SUBSTRATE
NATURAL PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate) hide
LITERATURE
(Substrate)
COMMENTARY
(Product) hide
LITERATURE
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
additional information
?
-
METALS and IONS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
pH OPTIMUM
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
TEMPERATURE OPTIMUM
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
ORGANISM
COMMENTARY hide
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
SOURCE TISSUE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
SOURCE
-
immature, ripening, and mature, enzyme expression and activity during development, overview
Manually annotated by BRENDA team
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young
Manually annotated by BRENDA team
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derived from somatic embryogenesis
Manually annotated by BRENDA team
additional information
-
method development for somatic embryogenesis, overview
Manually annotated by BRENDA team
UNIPROT
ENTRY NAME
ORGANISM
NO. OF AA
NO. OF TRANSM. HELICES
MOLECULAR WEIGHT[Da]
SOURCE
SEQUENCE
LOCALIZATION PREDICTION?
DXMT1_COFCA
384
0
43389
Swiss-Prot
other Location (Reliability: 2)
MOLECULAR WEIGHT
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
41000
gel filtration
43000
SDS-PAGE
43400
2 * 43400, about, sequence calculation
80000
about, recombinant enzyme, gel filtration
SUBUNIT
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
dimer
CRYSTALLIZATION (Commentary)
ORGANISM
UNIPROT
LITERATURE
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, 1 mM S-adenosyl-L-cysteine, and 1 mM theobromine, 1-3 days, 20°C, X-ray diffraction structure determination and analysis at 2.5-2.7 A resolution
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
using Linbro plates and the conventional hanging-drop technique, in the presence of the demethylated cofactor S-adenosyl-L-cysteine or theobromine
PROTEIN VARIANTS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
additional information
-
reduction of the second enzyme of the pathway, 7-methylxanthine methyltransferase, EC 2.1.1.159, leads to reduced DXMT1 expression
PURIFICATION (Commentary)
ORGANISM
UNIPROT
LITERATURE
recombinant His-tagged DXMT1 from Escherichia coli strain BL21(DE3) to homogeneity by nickel affinity chromatography, cleavage of the His-tag with tobacco etch virus, TEV, protease, followed by gel filtration
using the His-tagged affinity chromatography
CLONED (Commentary)
ORGANISM
UNIPROT
LITERATURE
expression in Escherichia coli
expression in Escherichia coli as His-tagged fusion protein
expression of His-tagged DXMT1 in Escherichia coli strain BL21(DE3)
expression analysis
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EXPRESSION
ORGANISM
UNIPROT
LITERATURE
expression is increased in presence of 0.5 mM salicylic acid
expression is not altered by treatment with methyl jasmonate
APPLICATION
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
food industry
treatment of endosperms with 0.05 mM salicylic acid leads to 11.8% increase in theobromine content. Caffeine shows an increase in both methyl jasmonate (14.4% increase) and salicylic acid (50 microM, 14.8% increase) treatments
REF.
AUTHORS
TITLE
JOURNAL
VOL.
PAGES
YEAR
ORGANISM (UNIPROT)
PUBMED ID
SOURCE
McCarthy, A.A.; Biget, L.; Lin, C.; Petiard, V.; Tanksley, S.D.; McCarthy, J.G.
Cloning, expression, crystallization and preliminary x-ray analysis of the XMT and DXMT N-methyltransferases from Coffea canephora (robusta)
Acta Crystallogr. Sect. F
F63
304-307
2007
Coffea canephora (A4GE70)
Manually annotated by BRENDA team
Ogita, S.; Uefuji, H.; Morimoto, M.; Sano, H.
Application of RNAi to confirm theobromine as the major intermediate for caffeine biosynthesis in coffee plants with potential for construction of decaffeinated varieties
Plant Mol. Biol.
54
931-941
2004
Coffea arabica (Q8H0D2), Coffea canephora
Manually annotated by BRENDA team
McCarthy, A.A.; McCarthy, J.G.
The structure of two N-methyltransferases from the caffeine biosynthetic pathway
Plant Physiol.
144
879-889
2007
Coffea canephora (A4GE70)
Manually annotated by BRENDA team
Koshiro, Y.; Zheng, X.Q.; Wang, M.L.; Nagai, C.; Ashihara, H.
Changes in content and biosynthetic activity of caffeine and trigonelline during growth and ripening of Coffea arabica and Coffea canephora fruits
Plant Sci.
171
242-250
2006
Coffea arabica (Q8H0D3), Coffea canephora, Coffea canephora CCS1
Manually annotated by BRENDA team
McCarthy, A.A.; Biget, L.; Lin, C.; Petiard, V.; Tanksley, S.D.; McCarthy, J.G.
Cloning, expression, crystallization and preliminary X-ray analysis of the XMT and DXMT N-methyltransferases from Coffea canephora (robusta)
Acta Crystallogr. Sect. F
63
304-307
2007
Coffea canephora (A4GE70)
Manually annotated by BRENDA team
Kumar, A.; Giridhar, P.
Salicylic acid and methyljasmonate restore the transcription of caffeine biosynthetic N-methyltransferases from a transcription inhibition noticed during late endosperm maturation in coffee
Plant Gene
4
38-44
2015
Coffea canephora (A4GE70), Coffea canephora var. robusta (A4GE70)
-
Manually annotated by BRENDA team