Information on EC 2.1.1.160 - caffeine synthase

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The expected taxonomic range for this enzyme is: Gunneridae

EC NUMBER
COMMENTARY
2.1.1.160
-
RECOMMENDED NAME
GeneOntology No.
caffeine synthase
-
REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT ACCESSION NO.
LITERATURE
S-adenosyl-L-methionine + 1,7-dimethylxanthine = S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Paraxanthine is the best substrate for this enzyme but the paraxanthine pathway is considered to be a minor pathway for caffeine biosynthesis.
-
-
-
S-adenosyl-L-methionine + 3,7-dimethylxanthine = S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
; Paraxanthine is the best substrate for this enzyme but the paraxanthine pathway is considered to be a minor pathway for caffeine biosynthesis.
-
-
-
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
A4GE70
S-adenosyl-L-methionine + 7-methylxanthine = S-adenosyl-L-homocysteine + 3,7-dimethylxanthine
show the reaction diagram
Paraxanthine is the best substrate for this enzyme but the paraxanthine pathway is considered to be a minor pathway for caffeine biosynthesis.
-
-
-
PATHWAY
KEGG Link
MetaCyc Link
Biosynthesis of secondary metabolites
-
caffeine biosynthesis I
-
caffeine biosynthesis II (via paraxanthine)
-
Caffeine metabolism
-
Metabolic pathways
-
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].
SYNONYMS
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
1-N-methyltransferase activity
Q8H0D3
-
3, 7-dimethylxanthine methyltransferase
-
-
3,7-dimethylxanthine methyltransferase
Q84PP8
-
3,7-dimethylxanthine methyltransferase
-
-
3,7-dimethylxanthine methyltransferase
A4GE70
-
7-N-methylxanthine methyltransferase
-
-
caffeine synthase
-
-
caffeine synthase
Q9AVJ9
-
caffeine synthase 1
Q8H0D3
-
CCS
Q8H0D3
-
CCS
Coffea canephora CCS1
-
-
-
CCS1
Q8H0D3
-
CCS1
Coffea sp.
-
-
coffee caffeine synthase 1
Q8H0D3
-
CS
Q9AVJ9
-
CtCS6
Q8H0D3
-
N-1 methyltransferase
-
-
TCS1
Q9FZN8
-
TCS1
Q9AVJ9
-
tea caffeine synthase
-
-
theobromine 1-N-methyltransferase
-
-
CAS REGISTRY NUMBER
COMMENTARY
155215-94-4
-
ORGANISM
COMMENTARY
LITERATURE
SEQUENCE CODE
SEQUENCE DB
SOURCE
isozyme 1
SwissProt
Manually annotated by BRENDA team
bifunctional enzyme
-
-
Manually annotated by BRENDA team
cv. Kangra jat
UniProt
Manually annotated by BRENDA team
cv. Kangra jat
-
-
Manually annotated by BRENDA team
cv. Yabukita, TCS gene
-
-
Manually annotated by BRENDA team
gene TCS1; bifunctional enzyme
SwissProt
Manually annotated by BRENDA team
bifunctional enzyme performing 3-N-methyltransferase activity, EC 2.1.1.159, and 1-N-methyltransferase activity, EC 2.1.1.160; isozyme CtCS6 is a bifunctional enzyme
SwissProt
Manually annotated by BRENDA team
CCS1
SwissProt
Manually annotated by BRENDA team
cv. Mokka, gene CCS1
SwissProt
Manually annotated by BRENDA team
gene CaDXMT1; var. caturra
Q84PP8
SwissProt
Manually annotated by BRENDA team
gene CaMTL1; var. caturra
SwissProt
Manually annotated by BRENDA team
isozyme DXMT1; isozyme DXMT1
Q84PP8
SwissProt
Manually annotated by BRENDA team
DXMT1; var. robusta, bifunctional enzyme
SwissProt
Manually annotated by BRENDA team
robusta
SwissProt
Manually annotated by BRENDA team
var. conilon
-
-
Manually annotated by BRENDA team
var. robusta, bifunctional enzyme
SwissProt
Manually annotated by BRENDA team
Coffea canephora CCS1
CCS1
-
-
Manually annotated by BRENDA team
Coffea sp.
-
-
-
Manually annotated by BRENDA team
GENERAL INFORMATION
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
malfunction
-
post-transcriptional silencing of caffeine synthase mRNA leads to reduced caffeine content in tea leaves
metabolism
-
caffeine synthesis and degradation in tea is under developmental and seasonal regulation
metabolism
-
caffeine synthase is a bifunctional enzyme that catalyzes the last two steps of caffeine biosynthesis in tea as 7-N-methylxanthine methyltransferase and 3,7-dimethylxanthine methyltransferase
metabolism
-
caffeine synthase catalyzes the S-adenosyl-L-methionine-dependent N-3- and N-1-methylation of the purine base to form caffeine, the last step in the purine alkaloid biosynthetic pathway. Pathways for the biosynthesis of caffeine and phenylpropanoids, overview
metabolism
Coffea sp.
-
the enzyme catalyzes the second and third step in caffeine biosynthesis, pathway overview
additional information
-
regulation of TCS gene expression
SUBSTRATE
PRODUCT                      
REACTION DIAGRAM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
(Substrate)
LITERATURE
(Substrate)
COMMENTARY
(Product)
LITERATURE
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Coffea sp.
-
-
-
-
?
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
-
-
-
-
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q2HXL9
i.e. paraxanthine
i.e. caffeine
-
?
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q2HX16
i.e. paraxanthine
i.e. caffeine
-
?
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q2HXL8
i.e. paraxanthine, alternative route in caffeine biosynthesis
i.e. caffeine
-
?
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q2HXL9
i.e. paraxanthine, alternative route in caffeine biosynthesis
i.e. caffeine
-
?
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q2HX16
i.e. paraxanthine, alternative route in caffeine biosynthesis
i.e. caffeine
-
?
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q2HXL8
i.e. paraxanthine, preferred substrate
i.e. caffeine
-
?
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q9FZN8
northern blot analysis and in situ hybridisation reveals a higher expression of caffeine synthase in younger leaves, in summer, and in leaves of the shaded and fertilized plants
-
-
?
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Coffea sp.
-
paraxanthine is the best methyl acceptor for caffeine synthase
-
-
?
S-adenosyl-L-methionine + 1-methylxanthine
S-adenosyl-L-homocysteine + 1,3-dimethylxanthine
show the reaction diagram
-
low activity
i.e. theophylline
-
?
S-adenosyl-L-methionine + 1-methylxanthine
S-adenosyl-L-homocysteine + 1,3-dimethylxanthine
show the reaction diagram
Q9FZN8
low activity with the recombinant enzyme, poor activity with the native enzyme
i.e. theophylline
-
?
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
Coffea sp.
-
-
-
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
A4GE70
-
-
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
B9VI89, -
-
-
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
-
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
-
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
A4GE70
-
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
-
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
-
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q8H0D3
-
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q9AVJ9
-
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
A4GE70
-
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q9FZN8
-
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q84PP8
-
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
-
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
last step in caffeine biosynthesis pathway
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
last step in caffeine biosynthesis pathway
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q8H0D3
last step in caffeine biosynthesis pathway
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q9AVJ9
last step in caffeine biosynthesis pathway
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q84PP8
last step in caffeine biosynthesis pathway
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
step of the caffeine biosynthesis, caffeine accumulation in seeds
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q8H0D3
step of the caffeine biosynthesis, caffeine accumulation in seeds
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
the enzyme is part of a caffeine biosynthetic pathway which includes a recycling of adenosine released from S-adenosyl-L-methionine in form of xanthosine monophosphate, overview
-
-
?
S-adenosyl-L-methionine + 3-methylxanthine
S-adenosyl-L-homocysteine + 1,3-dimethylxanthine
show the reaction diagram
-
low activity
i.e. theophylline
-
?
S-adenosyl-L-methionine + 3-methylxanthine
S-adenosyl-L-homocysteine + 1,3-dimethylxanthine
show the reaction diagram
Q9FZN8
poor activity with the recombinant enzyme, low activity with the native enzyme
i.e. theophylline
-
?
S-adenosyl-L-methionine + 7-methylxanthine
S-adenosyl-L-homocysteine + 3,7-dimethylxanthine
show the reaction diagram
-
-
-
-
?
S-adenosyl-L-methionine + 7-methylxanthine
S-adenosyl-L-homocysteine + 3,7-dimethylxanthine
show the reaction diagram
Coffea sp.
-
-
-
-
?
S-adenosyl-L-methionine + 7-methylxanthine
S-adenosyl-L-homocysteine + 3,7-dimethylxanthine
show the reaction diagram
B9VI89, -
-
-
-
?
additional information
?
-
Q2HXL8
substrate specificity, overview
-
-
-
additional information
?
-
Q2HXL9
substrate specificity, overview
-
-
-
additional information
?
-
Q2HX16
substrate specificity, overview
-
-
-
additional information
?
-
Q8H0D3
bifunctional enzyme performing 3-N-methyltransferase activity, EC 2.1.1.159, and 1-N-methyltransferase activity, EC 2.1.1.160, overview
-
-
-
additional information
?
-
-
enzyme expression and activity during caffeine biosynthesis in fruits, overview
-
-
-
additional information
?
-
Q8H0D3
enzyme expression and activity during caffeine biosynthesis in fruits, overview
-
-
-
additional information
?
-
-
feeding experiments with fruit samples, determination of reaction products, overview
-
-
-
additional information
?
-
A4GE70
the bifunctional enzyme also catalyzes the reaction of the theobromine synthase, EC 2.1.1.159
-
-
-
additional information
?
-
-
the bifunctional enzyme catalyzes the last two steps of the caffeine biosynthesis
-
-
-
additional information
?
-
Q9FZN8
the bifunctional enzyme preferably catalyzes the reaction of the theobromine synthase, EC 2.1.1.159
-
-
-
additional information
?
-
Q8H0D3
substrate specificity, bifunctional enzyme performing 3-N-methyltransferase activity, EC 2.1.1.159, and 1-N-methyltransferase activity, EC 2.1.1.160, overview
-
-
-
additional information
?
-
-
substrate specificity, overview, no activity with xanthine, hypoxanthine, and xanthosine
-
-
-
additional information
?
-
-
substrate specificity, overview, the bifunctional enzyme mainly catalyzes the reaction of the theobromine synthase, EC 2.1.1.159, no activity with xanthosine, xanthosine 5-phosphate, and theophylline
-
-
-
additional information
?
-
Q9FZN8
substrate specificity, overview, the bifunctional enzyme preferably catalyzes the reaction of the theobromine synthase, EC 2.1.1.159, no activity with xanthosine
-
-
-
additional information
?
-
-
the multifunctional isozyme DXMT1 catalyzes also the reaction theobromine synthase, EC 2.1.1.159, but at lower activity compared to its N1-methyltransferase, i.e. caffeine synthase activity
-
-
-
additional information
?
-
B9VI89, -
tea caffeine synthase is a bifunctional enzyme comprising two S-adenosyl-L-methionine-dependent N-methyltransferase activities leading to the formation of theobromine and caffeine
-
-
-
additional information
?
-
Coffea sp.
-
the descending order of activity of the purine base with caffeine synthase is N-3, N-1, N-7
-
-
-
NATURAL SUBSTRATES
NATURAL PRODUCTS
REACTION DIAGRAM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
(Substrate)
LITERATURE
(Substrate)
COMMENTARY
(Product)
LITERATURE
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Coffea sp.
-
-
-
-
?
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q2HXL8
i.e. paraxanthine, alternative route in caffeine biosynthesis
i.e. caffeine
-
?
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q2HXL9
i.e. paraxanthine, alternative route in caffeine biosynthesis
i.e. caffeine
-
?
S-adenosyl-L-methionine + 1,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q2HX16
i.e. paraxanthine, alternative route in caffeine biosynthesis
i.e. caffeine
-
?
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
Coffea sp.
-
-
-
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
A4GE70
-
-
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
B9VI89, -
-
-
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
-
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
A4GE70
-
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q9FZN8
-
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q84PP8
-
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
-
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
last step in caffeine biosynthesis pathway
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
last step in caffeine biosynthesis pathway
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q8H0D3
last step in caffeine biosynthesis pathway
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q9AVJ9
last step in caffeine biosynthesis pathway
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q84PP8
last step in caffeine biosynthesis pathway
i.e. caffeine
-
ir
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
step of the caffeine biosynthesis, caffeine accumulation in seeds
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
Q8H0D3
step of the caffeine biosynthesis, caffeine accumulation in seeds
i.e. caffeine
-
?
S-adenosyl-L-methionine + 3,7-dimethylxanthine
S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-
the enzyme is part of a caffeine biosynthetic pathway which includes a recycling of adenosine released from S-adenosyl-L-methionine in form of xanthosine monophosphate, overview
-
-
?
S-adenosyl-L-methionine + 7-methylxanthine
S-adenosyl-L-homocysteine + 3,7-dimethylxanthine
show the reaction diagram
-
-
-
-
?
S-adenosyl-L-methionine + 7-methylxanthine
S-adenosyl-L-homocysteine + 3,7-dimethylxanthine
show the reaction diagram
Coffea sp.
-
-
-
-
?
S-adenosyl-L-methionine + 7-methylxanthine
S-adenosyl-L-homocysteine + 3,7-dimethylxanthine
show the reaction diagram
B9VI89, -
-
-
-
?
additional information
?
-
Q8H0D3
bifunctional enzyme performing 3-N-methyltransferase activity, EC 2.1.1.159, and 1-N-methyltransferase activity, EC 2.1.1.160, overview
-
-
-
additional information
?
-
-
enzyme expression and activity during caffeine biosynthesis in fruits, overview
-
-
-
additional information
?
-
Q8H0D3
enzyme expression and activity during caffeine biosynthesis in fruits, overview
-
-
-
additional information
?
-
-
feeding experiments with fruit samples, determination of reaction products, overview
-
-
-
additional information
?
-
A4GE70
the bifunctional enzyme also catalyzes the reaction of the theobromine synthase, EC 2.1.1.159
-
-
-
additional information
?
-
-
the bifunctional enzyme catalyzes the last two steps of the caffeine biosynthesis
-
-
-
additional information
?
-
Q9FZN8
the bifunctional enzyme preferably catalyzes the reaction of the theobromine synthase, EC 2.1.1.159
-
-
-
additional information
?
-
B9VI89, -
tea caffeine synthase is a bifunctional enzyme comprising two S-adenosyl-L-methionine-dependent N-methyltransferase activities leading to the formation of theobromine and caffeine
-
-
-
COFACTOR
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
IMAGE
S-adenosyl-L-methionine
-
-
S-adenosyl-L-methionine
Coffea sp.
-
-
METALS and IONS
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
KCN
-
74% inhibition at 100 mM, but 33% activation at 10 mM
Mg2+
-
activates
Mg2+
A4GE70
-
INHIBITORS
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
IMAGE
4-chloromercuribenzoate
-
complete inhibition at 0.5 mM, 23% inhibition at 0.05 mM
azouracil
-
18% inhibition at 0.1 mM, no inhibition at 1 mM
iodoacetate
-
complete inhibition at 100 mM, 89% inhibition at 10 mM
N-Methylmaleimide
-
complete inhibition at 1 mM, no inhibition at 0.1 mM
NaN3
-
22% inhibition at 10 mM, 16% at 1 mM
KCN
-
74% inhibition at 100 mM, but 33% activation at 10 mM
additional information
-
no inhibition by EDTA at 0.5-5 mM
-
ACTIVATING COMPOUND
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
IMAGE
paraxanthine
-
i.e. 1,7-dimethylxanthine, slight stimulation
KM VALUE [mM]
KM VALUE [mM] Maximum
SUBSTRATE
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
IMAGE
0.973
-
paraxanthine
-
recombinant DXMT1
0.01
-
S-adenosyl-L-methionine
-
pH 8.5, 30C
0.153
-
S-adenosyl-L-methionine
-
recombinant DXMT1
0.157
-
Theobromine
Q8H0D3
pH 8.5, 37C, recombinant CCS1
0.2
-
Theobromine
-
pH 8.5, 30C
SPECIFIC ACTIVITY [µmol/min/mg]
SPECIFIC ACTIVITY MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
3.65
-
-
purified enzyme
95
-
-
purified enzyme
additional information
-
-
in vivo activities after feeding of radiolabeled L-methionine, activity profile of the enzyme in young, adult, and aged leaves, overview
additional information
-
-
substrate specificity, overview
additional information
-
-
recombinant enzyme
pH OPTIMUM
pH MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
7.5
-
Q9FZN8
assay at
7.5
-
-
assay at
7.9
-
A4GE70
assay at
8
-
-
assay at
8.3
-
-
assay at
8.5
-
Q8H0D3
assay at
8.5
-
-
narrow pH optimum
8.5
-
-
sharp optimum
pH RANGE
pH RANGE MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
additional information
-
-
pH profile
additional information
-
-
pH profile
TEMPERATURE OPTIMUM
TEMPERATURE OPTIMUM MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
27
-
-
assay at
27
-
-
assay at
30
-
-
assay at
37
-
Q8H0D3
assay at
37
-
A4GE70
assay at
pI VALUE
pI VALUE MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
4
4.9
-
chromatofocusing
SOURCE TISSUE
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
SOURCE
-
caffeine synthase expression as well as caffeine content is found to be higher in commercially utilized tissues like apical bud, 1st leaf, 2nd leaf, young stem, and is lower in old leaf during non-dormant compared to dormant growth phase
Manually annotated by BRENDA team
Q8H0D3
developing
Manually annotated by BRENDA team
-
TCS transcripts content remains constant throughout fl ower development
Manually annotated by BRENDA team
-
low expression level
Manually annotated by BRENDA team
-
unripe, green
Manually annotated by BRENDA team
Q8H0D3
immature, ripening, and mature, enzyme expression and activity during development, overview
Manually annotated by BRENDA team
-
immature, ripening, and mature, enzyme expression and activity during development, overview
Manually annotated by BRENDA team
-
fruit coats have higher caffeine synthase expression, caffeine content, and allantoin content
Manually annotated by BRENDA team
-
activity profile of the enzyme in young, adult, and aged leaves, high activity in young leaves
Manually annotated by BRENDA team
Q9AVJ9
old and young
Manually annotated by BRENDA team
-
young, developing
Manually annotated by BRENDA team
-
not in stems and roots, more in palisade parenchyma and epicuticle, less in spongy parenchyma and hypoderm
Manually annotated by BRENDA team
-
caffeine synthase expression as well as caffeine content is found to be higher in commercially utilized tissues like apical bud, 1st leaf, 2nd leaf, young stem, and is lower in old leaf during non-dormant compared to dormant growth phase
Manually annotated by BRENDA team
Q84PP8
derived from somatic embryogenesis
Manually annotated by BRENDA team
-
derived from somatic embryogenesis
Manually annotated by BRENDA team
-
TCS transcripts content is highest in young leaves and declines markedly during leaf development
Manually annotated by BRENDA team
additional information
Q9AVJ9
wide tissue distribution
Manually annotated by BRENDA team
additional information
Q84PP8
method development for somatic embryogenesis, overview
Manually annotated by BRENDA team
additional information
-
method development for somatic embryogenesis, overview
Manually annotated by BRENDA team
additional information
-
expression profi le of the tea caffeine synthasegene in developing leaves and fl owers by northern blot RNA analysis
Manually annotated by BRENDA team
LOCALIZATION
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
GeneOntology No.
LITERATURE
SOURCE
-
co-localization of xanthosine methyltransferase, 7-methylxanthine methyltransferase, and 3,7-dimethylxanthine methyltransferase
Manually annotated by BRENDA team
MOLECULAR WEIGHT
MOLECULAR WEIGHT MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
41000
-
A4GE70
gel filtration
43000
-
A4GE70
SDS-PAGE
61000
-
-
gel filtration
67000
-
-
about, gel filtration
80000
-
A4GE70
about, recombinant enzyme, gel filtration
81000
-
-
recombinant isozyme DXMT1, gel filtration
SUBUNITS
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
dimer
A4GE70
2 * 43400, about, sequence calculation
dimer
-
2 * 40000, SDS-PAGE
dimer
-
2 * 43300, recombinant isozyme DXMT1, SDS-PAGE
dimer
A4GE70
2 * 41000, gel filtration
dimer
-
bimolecular fluorescence complementation. Enzymes xanthosine methyltransferase, 7-methylxanthine methyltransferase, and 3,7-dimethylxanthine methyltransferase each form a homo-dimer in cytosol. In addition, each enzyme also forms a hetero-dimer with each of the other two enzymes in cytosol
monomer or dimer
-
x * 41000, SDS-PAGE
Crystallization/COMMENTARY
ORGANISM
UNIPROT ACCESSION NO.
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, 20C, X-ray diffraction structure determination and analysis at 2.5-2.7 A resolution
A4GE70
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, 20C, plate-like crystals, X-ray diffraction structure determination and analysis at 2.0-2.7 A resolution, molecular replacement
A4GE70
using Linbro plates and the conventional hanging-drop technique, in the presence of the demethylated cofactor S-adenosyl-L-cysteine or theobromine
A4GE70
Purification/COMMENTARY
ORGANISM
UNIPROT ACCESSION NO.
LITERATURE
native enzyme 523fold from young, developing leaves by ammonium sulfate fractionation, hydroxylapatite, anion exchange, and adenosine affinity chromatography, and gel filtration to homogeneity
-
native enzyme 24fold from young leaves by 3 steps of ion exchange chromatography, and gel filtration
-
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
A4GE70
using the His-tagged affinity chromatography
A4GE70
Cloned/COMMENTARY
ORGANISM
UNIPROT ACCESSION NO.
LITERATURE
isozyme 1, DNA and amino acid sequence determination and analysis, expression of wild-type and chimeric mutant enzymes in Escherichia coli strain BL21(DE3), phylogenetic analysis
Q2HXL9
DNA and amino acid sequence determination and analysis, expression of wild-type and chimeric mutant enzymes in Escherichia coli strain BL21(DE3), phylogenetic analysis
Q2HX16
Agrobacterium tumefaciens-mediated silencing of caffeine synthesis through root transformation in Camellia sinensis suign the RNAi construct, pFGC1008-CS, method, overview
B9VI89, -
gene TCS1, cDNA and amino acid sequence determination and analysis, expression in Escherichia coli
Q9FZN8
semiquantitative-PCR for caffeine synthase transcript expression analysis
-
DNA and amino acid sequence determination and analysis, expression in Escherichia coli as wild-type and as Trx-fusion protein
Q8H0D3
gene CaMTL1, cDNA library construction, DNA and amino acid sequence determination and analysis, sequence comparison with other species
Q9AVJ9
gene DXMT1, DNA and amino acid sequence determination and analysis, expression analysis
Q84PP8
isozyme DXMT1, DNA and amino acid sequence determination and analysis, phylogenetic analysis, expression of the GST-tagged enzyme in Escherichia coli Bl21(DE3)
-
isozyme DXMT1, functional expression in transgenic Nicotiana tabacum plant leaves
-
expression analysis
-
expression in Escherichia coli
A4GE70
expression in Escherichia coli as His-tagged fusion protein
A4GE70
expression of His-tagged DXMT1 in Escherichia coli strain BL21(DE3)
A4GE70
expression of wild-type and mutant enzymes in Escherichia coli strain BL21 (DE3), sequence comparisonof caffeine synthetic enzymes from coffee
Coffea sp.
-
DNA and amino acid sequence determination and analysis, expression of wild-type and chimeric mutant enzymes in Escherichia coli strain BL21(DE3), phylogenetic analysis
Q2HXL8
EXPRESSION
ORGANISM
UNIPROT ACCESSION NO.
LITERATURE
drought stress suppresses TCS gene expression in leaves
-
caffeine synthase expression as well as caffeine content is found to be higher in commercially utilized tissues like apical bud, 1st leaf, 2nd leaf, young stem, and is lower in old leaf during non-dormant compared to dormant growth phase. Among fruit parts, fruit coats have higher caffeine synthase expression, caffeine content, and allantoin content
-
amounts of transcripts are much higher in young leaf than in other parts of the plant. Larger amounts of transcripts are found in young calluses than in old tissues
-
environmental stresses other than heavy metal stress and plant hormone treatments have no effect on the expression of TCS gene
-
TCS transcript increases slightly on supply of a nitrogen source
-
naturally occuring low-caffeine fruits have a lower expression of the theobromine synthase and caffeine synthase genes and also contain an extra transcript of the caffeine synthase gene encoding a mutant form. The absence of caffeine in these mutants probably results from a combination of transcriptional regulation and the presence of mutations
Q8H0D3
ENGINEERING
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
additional information
Q2HXL9
construction and substrate specificity determination of chimeric mutant enzymes composed of theobromine synthase and inactive caffeine synthase, EC 2.1.1.160, overview
additional information
Q2HX16
construction and substrate specificity determination of chimeric mutant enzymes composed of theobromine synthase and inactive caffeine synthase, EC 2.1.1.160, overview
additional information
B9VI89, -
Agrobacterium tumefaciens-mediated silencing of caffeine synthesis through root transformation in Camellia sinensis suign the RNAi construct, pFGC1008-CS. The pFGC1008-CS contained 376 bp of caffeine synthase cDNA fragment in sense and antisense direction with an intron in between. Marked reduction in caffeine and theobromine contents in young shoots of tea seedlings occur after root transformation
additional information
-
isolation of a partial fragment of caffeine synthase from cv. Kangra jat and usage for design an RNAi construct, pFGC1008-CS, detection of siRNAs specific to caffeine synthase in transgenic plants. Transformation of somatic embryos with the developed construct using a biolistic method. Transformed somatic embryos show reduction in the levels of caffeine synthase transcript expression as well as in caffeine content. Transgenic plants generated from the transformed somatic embryos show a significant suppression of caffeine synthase transcript expression and also a reduction of 44-61% in caffeine and 46-67% in theobromine contents as compared to the controls
additional information
Q84PP8
reduction of the second enzyme of the pathway, 7-methylxanthine methyltransferase, EC 2.1.1.159, leads to reduced DXMT1 expression
additional information
-
transgenic Nicotiana tabacum plant leaves expressing all three enzymes required for the biosynthesis of caffeine are no longer eaten by the tobacco cutworm caterpillars, Spodoptera litura, overview
additional information
Q8H0D3
naturally occuring low-caffeine fruits contain an extra transcript of the caffeine synthase gene containing only part of exon 1 and all of exon 3. The sequence of the mutant caffeine synthase gene shows a substitution I266V in the enzyme active site that probably interferes with enzymatic activity. The absence of caffeine in these mutants probably results from a combination of transcriptional regulation and the presence of mutations
additional information
-
reduction of the second enzyme of the pathway, 7-methylxanthine methyltransferase, EC 2.1.1.159, leads to reduced DXMT1 expression
additional information
Coffea sp.
-
construction of several enzyme mutants, overview
additional information
Q2HXL8
construction and substrate specificity determination of chimeric mutant enzymes composed of theobromine synthase and inactive caffeine synthase, EC 2.1.1.160, overview
APPLICATION
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
biotechnology
Q9FZN8
large-scale production of transgenic enzyme-deficient Coffea arabica and Camellia sinensis plants are a practical possibilty for production of decaffeinated coffee or tea
food industry
Q9FZN8
large-scale production of transgenic enzyme-deficient Coffea arabica and Camellia sinensis plants are a practical possibilty for production of decaffeinated coffee or tea
food industry
-
producing low-caffeine tea through post-transcriptional silencing of caffeine synthase mRNA
agriculture
-
expression of the caffeine biosynthesis enzymes in transgenic crop plants may protect against the crop damaging larvae of pests