Enzyme

Download
EC Tree
     2. Transferases
        2.1 Transferring one-carbon groups
            2.1.1 Methyltransferases
ID:2.1.1.160
Description:Caffeine synthase.
Alternative Name: Dimethylxanthine methyltransferase.
3N-methyltransferase.
Cath: 1.10.1200.270; 3.40.50.150;

3D structure

Click one PDB to see exact 3D structure provided by NGL.

Note: Use your mouse to drag, rotate, and zoom in and out of the structure. Mouse-over to identify atoms and bonds. Mouse controls documentation.

References

External Links

UniProtKB Enzyme Link: UniProtKB 2.1.1.160
BRENDA Enzyme Link: BRENDA 2.1.1.160
KEGG Enzyme Link: KEGG2.1.1.160
BioCyc Enzyme Link: BioCyc 2.1.1.160
ExPASy Enzyme Link: ExPASy2.1.1.160
EC2PDB Enzyme Link: EC2PDB 2.1.1.160
ExplorEnz Enzyme Link: ExplorEnz 2.1.1.160
PRIAM enzyme-specific profiles Link: PRIAM 2.1.1.160
IntEnz Enzyme Link: IntEnz 2.1.1.160
MEDLINE Enzyme Link: MEDLINE 2.1.1.160
MSA:

2.1.1.160;

Phylogenetic Tree:

2.1.1.160;

Uniprot:
M-CSA:
RHEA:24604 7-methylxanthine + S-adenosyl-L-methionine = H(+) + S-adenosyl-L-homocysteine + theobromine
RULE(radius=1) [*:1]-[S+;H0:2](-[*:3])-[CH3;+0:4].[*:5]:[nH;+0:6]:[*:7]>>[*:1]-[S;H0;+0:2]-[*:3].[*:5]:[n;H0;+0:6](:[*:7])-[CH3;+0:4]
Reaction
Core-to-Core No scaffolds atoms were exchanged as a result of the reaction

References

TitleAuthorsDatePubMed ID
Substrate specificity of N-methyltransferase involved in purine alkaloids synthesis is dependent upon one amino acid residue of the enzyme.Yoneyama N, Morimoto H, Ye CX, Ashihara H, Mizuno K, Kato M2006 Feb16333668
Molecular cloning and functional characterization of three distinct N-methyltransferases involved in the caffeine biosynthetic pathway in coffee plants.Uefuji H, Ogita S, Yamaguchi Y, Koizumi N, Sano H2003 May12746542
Isolation of a new dual-functional caffeine synthase gene encoding an enzyme for the conversion of 7-methylxanthine to caffeine from coffee (Coffea arabica L.).Mizuno K, Okuda A, Kato M, Yoneyama N, Tanaka H, Ashihara H, Fujimura T2003 Jan 1612527364
Caffeine synthase gene from tea leaves.Kato M, Mizuno K, Crozier A, Fujimura T, Ashihara H2000 Aug 3110984041
7-Methylxanthine methyltransferase of coffee plants. Gene isolation and enzymatic properties.Ogawa M, Herai Y, Koizumi N, Kusano T, Sano H2001 Mar 1611108716

RHEA:20944 S-adenosyl-L-methionine + theobromine = caffeine + H(+) + S-adenosyl-L-homocysteine
RULE(radius=1) [*:1]-[S+;H0:2](-[*:3])-[CH3;+0:4].[*:5]:[nH;+0:6]:[*:7]>>[*:1]-[S;H0;+0:2]-[*:3].[*:5]:[n;H0;+0:6](:[*:7])-[CH3;+0:4]
Reaction
Core-to-Core No scaffolds atoms were exchanged as a result of the reaction

References

TitleAuthorsDatePubMed ID
Molecular cloning and functional characterization of three distinct N-methyltransferases involved in the caffeine biosynthetic pathway in coffee plants.Uefuji H, Ogita S, Yamaguchi Y, Koizumi N, Sano H2003 May12746542
Isolation of a new dual-functional caffeine synthase gene encoding an enzyme for the conversion of 7-methylxanthine to caffeine from coffee (Coffea arabica L.).Mizuno K, Okuda A, Kato M, Yoneyama N, Tanaka H, Ashihara H, Fujimura T2003 Jan 1612527364
Caffeine synthase gene from tea leaves.Kato M, Mizuno K, Crozier A, Fujimura T, Ashihara H2000 Aug 3110984041
Purification and characterization of caffeine synthase from tea leaves.Kato M, Mizuno K, Fujimura T, Iwama M, Irie M, Crozier A, Ashihara H1999 Jun10364410

RHEA:10280 1,7-dimethylxanthine + S-adenosyl-L-methionine = caffeine + H(+) + S-adenosyl-L-homocysteine
RULE(radius=1) [*:1]-[S+;H0:2](-[*:3])-[CH3;+0:4].[*:5]:[nH;+0:6]:[*:7]>>[*:1]-[S;H0;+0:2]-[*:3].[*:5]:[n;H0;+0:6](:[*:7])-[CH3;+0:4]
Reaction
Core-to-Core No scaffolds atoms were exchanged as a result of the reaction

References

TitleAuthorsDatePubMed ID
Molecular cloning and functional characterization of three distinct N-methyltransferases involved in the caffeine biosynthetic pathway in coffee plants.Uefuji H, Ogita S, Yamaguchi Y, Koizumi N, Sano H2003 May12746542
Isolation of a new dual-functional caffeine synthase gene encoding an enzyme for the conversion of 7-methylxanthine to caffeine from coffee (Coffea arabica L.).Mizuno K, Okuda A, Kato M, Yoneyama N, Tanaka H, Ashihara H, Fujimura T2003 Jan 1612527364
Caffeine synthase gene from tea leaves.Kato M, Mizuno K, Crozier A, Fujimura T, Ashihara H2000 Aug 3110984041
Purification and characterization of caffeine synthase from tea leaves.Kato M, Mizuno K, Fujimura T, Iwama M, Irie M, Crozier A, Ashihara H1999 Jun10364410