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Literature summary extracted from

  • Rutherford, K.; Le Trong, I.; Stenkamp, R.E.; Parson, W.W.
    Crystal structures of human 108V and 108M catechol O-methyltransferase (2008), J. Mol. Biol., 380, 120-130.
    View publication on PubMed

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.1.1.6 sitting-drop vapor-diffusion method, crystal structures of the 108V and 108M variants of the soluble form of human COMT bound with S-adenosylmethionine and a substrate analog, 3,5-dinitrocatechol Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.1.1.6 (-)-epigallocatechin-3-O-gallate potent non-competitive inhibitor Homo sapiens
2.1.1.6 (-)-epigallocatechin-3-O-gallate potent non-competitive inhibitor Rattus norvegicus
2.1.1.6 (-)-epigallocatechin-3-O-gallate potent non-competitive inhibitor Sus scrofa
2.1.1.6 catechin
-
Homo sapiens
2.1.1.6 catechin
-
Rattus norvegicus
2.1.1.6 catechin
-
Sus scrofa
2.1.1.6 epicatechin
-
Homo sapiens
2.1.1.6 epicatechin
-
Rattus norvegicus
2.1.1.6 epicatechin
-
Sus scrofa
2.1.1.6 epigallocatechin
-
Homo sapiens
2.1.1.6 epigallocatechin
-
Rattus norvegicus
2.1.1.6 epigallocatechin
-
Sus scrofa
2.1.1.6 fisetin
-
Homo sapiens
2.1.1.6 fisetin
-
Rattus norvegicus
2.1.1.6 fisetin
-
Sus scrofa
2.1.1.6 quercetin
-
Homo sapiens
2.1.1.6 quercetin
-
Rattus norvegicus
2.1.1.6 quercetin
-
Sus scrofa

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining
2.1.1.6 cytosol
-
Homo sapiens 5829
-

Organism

EC Number Organism UniProt Comment Textmining
2.1.1.6 Homo sapiens P21964
-
-
2.1.1.6 Rattus norvegicus P22734
-
-
2.1.1.6 Sus scrofa
-
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
2.1.1.6 liver
-
Sus scrofa
-
2.1.1.6 liver
-
Homo sapiens
-
2.1.1.6 liver
-
Rattus norvegicus
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.1.1.6 (-)-epigallocatechin-3-O-gallate + S-adenosyl-L-methionine poor substrate for methylation Homo sapiens S-adenosyl-L-homocysteine + ?
-
?
2.1.1.6 2-hydroxyestradiol + S-adenosyl-L-methionine
-
Sus scrofa S-adenosyl-L-homocysteine + ?
-
?
2.1.1.6 2-hydroxyestradiol + S-adenosyl-L-methionine
-
Homo sapiens S-adenosyl-L-homocysteine + ?
-
?
2.1.1.6 2-hydroxyestradiol + S-adenosyl-L-methionine
-
Rattus norvegicus S-adenosyl-L-homocysteine + ?
-
?
2.1.1.6 4-hydroxyestradiol + S-adenosyl-L-methionine
-
Sus scrofa S-adenosyl-L-homocysteine + ?
-
?
2.1.1.6 4-hydroxyestradiol + S-adenosyl-L-methionine
-
Homo sapiens S-adenosyl-L-homocysteine + ?
-
?
2.1.1.6 4-hydroxyestradiol + S-adenosyl-L-methionine
-
Rattus norvegicus S-adenosyl-L-homocysteine + ?
-
?

Synonyms

EC Number Synonyms Comment Organism
2.1.1.6 catechol-O-methyltransferase
-
Sus scrofa
2.1.1.6 catechol-O-methyltransferase
-
Homo sapiens
2.1.1.6 catechol-O-methyltransferase
-
Rattus norvegicus
2.1.1.6 COMT
-
Sus scrofa
2.1.1.6 COMT
-
Homo sapiens
2.1.1.6 COMT
-
Rattus norvegicus

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.1.1.6 0.00007
-
O-methylation of 2-hydroxyestradiol Homo sapiens (-)-epigallocatechin-3-O-gallate
2.1.1.6 0.00054
-
O-methylation of 4-hydroxyestradiol Homo sapiens (-)-epigallocatechin-3-O-gallate
2.1.1.6 0.0009
-
O-methylation of 4-hydroxyestradiol Homo sapiens quercetin
2.1.1.6 0.0012
-
O-methylation of 2-hydroxyestradiol Homo sapiens quercetin
2.1.1.6 0.0012
-
O-methylation of 2-hydroxyestradiol Rattus norvegicus (-)-epigallocatechin-3-O-gallate
2.1.1.6 0.0012
-
O-methylation of 4-hydroxyestradiol Rattus norvegicus (-)-epigallocatechin-3-O-gallate
2.1.1.6 0.0015
-
O-methylation of 2-hydroxyestradiol Sus scrofa (-)-epigallocatechin-3-O-gallate
2.1.1.6 0.0017
-
O-methylation of 4-hydroxyestradiol Sus scrofa (-)-epigallocatechin-3-O-gallate
2.1.1.6 0.0021
-
O-methylation of 4-hydroxyestradiol Sus scrofa quercetin
2.1.1.6 0.0021
-
O-methylation of 4-hydroxyestradiol Homo sapiens fisetin
2.1.1.6 0.0021
-
O-methylation of 4-hydroxyestradiol Rattus norvegicus fisetin
2.1.1.6 0.0022
-
O-methylation of 4-hydroxyestradiol Rattus norvegicus quercetin
2.1.1.6 0.0032
-
O-methylation of 4-hydroxyestradiol Sus scrofa fisetin
2.1.1.6 0.0035
-
O-methylation of 2-hydroxyestradiol Homo sapiens fisetin
2.1.1.6 0.0035
-
O-methylation of 2-hydroxyestradiol Rattus norvegicus fisetin
2.1.1.6 0.0039
-
O-methylation of 2-hydroxyestradiol Sus scrofa quercetin
2.1.1.6 0.0043
-
O-methylation of 2-hydroxyestradiol Sus scrofa fisetin
2.1.1.6 0.0045
-
O-methylation of 2-hydroxyestradiol Rattus norvegicus quercetin
2.1.1.6 0.006
-
O-methylation of 4-hydroxyestradiol Homo sapiens epigallocatechin
2.1.1.6 0.0066
-
O-methylation of 4-hydroxyestradiol Homo sapiens catechin
2.1.1.6 0.008
-
O-methylation of 4-hydroxyestradiol Sus scrofa catechin
2.1.1.6 0.012
-
O-methylation of 4-hydroxyestradiol Rattus norvegicus catechin
2.1.1.6 0.015
-
O-methylation of 2-hydroxyestradiol Homo sapiens epigallocatechin
2.1.1.6 0.015
-
O-methylation of 4-hydroxyestradiol Homo sapiens epicatechin
2.1.1.6 0.0153
-
O-methylation of 2-hydroxyestradiol Homo sapiens catechin
2.1.1.6 0.016
-
O-methylation of 2-hydroxyestradiol Sus scrofa catechin
2.1.1.6 0.019
-
O-methylation of 2-hydroxyestradiol Rattus norvegicus catechin
2.1.1.6 0.019
-
O-methylation of 4-hydroxyestradiol Rattus norvegicus epicatechin
2.1.1.6 0.02
-
O-methylation of 4-hydroxyestradiol Rattus norvegicus epigallocatechin
2.1.1.6 0.022
-
O-methylation of 4-hydroxyestradiol Sus scrofa epigallocatechin
2.1.1.6 0.039
-
O-methylation of 2-hydroxyestradiol Rattus norvegicus epigallocatechin
2.1.1.6 0.04
-
O-methylation of 2-hydroxyestradiol Rattus norvegicus epicatechin
2.1.1.6 0.048
-
O-methylation of 2-hydroxyestradiol Sus scrofa epigallocatechin
2.1.1.6 0.0532
-
O-methylation of 2-hydroxyestradiol Homo sapiens epicatechin
2.1.1.6 0.062
-
O-methylation of 2-hydroxyestradiol Sus scrofa epicatechin
2.1.1.6 0.068
-
O-methylation of 4-hydroxyestradiol Sus scrofa epicatechin