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Literature summary extracted from

  • Kovac, A.; Wilson, R.A.; Besra, G.S.; Filipic, M.; Kikelj, D.; Gobec, S.
    New lipophilic phthalimido- and 3-phenoxybenzyl sulfonates: inhibition of antigen 85C mycolyltransferase activity and cytotoxicity (2006), J. Enzyme Inhib. Med. Chem., 21, 391-397.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.3.1.122 1-(3-phenoxy)benzyl 1-octanesulfonate IC50: 0.0043 mM Mycobacterium tuberculosis
2.3.1.122 3-Phenoxybenzyl alcohol trehalose mimetic inhibitor Mycobacterium tuberculosis
2.3.1.122 additional information design of mechanism-based inhibitors, growth inhibition assay, molecular docking, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 1-butanesulfonate and 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 1-octanesulfonate show no enzyme inhibition but are selectively cytotoxic against the breast cancer cell line MDA-MB231, overview Mycobacterium tuberculosis
2.3.1.122 N-(hydroxyethyl)phthalimide trehalose mimetic inhibitor Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.3.1.122 alpha,alpha-trehalose 6-mycolate Mycobacterium tuberculosis
-
 alpha,alpha-trehalose + alpha,alpha-trehalose 6,6'-bismycolate
-
 ?
2.3.1.122 alpha,alpha-trehalose 6-mycolate Mycobacterium tuberculosis H37Rv
-
 alpha,alpha-trehalose + alpha,alpha-trehalose 6,6'-bismycolate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.3.1.122 Mycobacterium tuberculosis P9WQN9
-
-
2.3.1.122 Mycobacterium tuberculosis H37Rv P9WQN9
-
-

Reaction

EC Number Reaction Comment Organism Reaction ID
2.3.1.122 2 alpha,alpha-trehalose 6-mycolate = alpha,alpha-trehalose + alpha,alpha-trehalose 6,6'-bismycolate reaction mechanism via enzyme complexed with the tetrahedral transition state and mycolic acid covalently attached to the enzyme, the catalytic triad is formed by Ser124, Glu228 and His260 Mycobacterium tuberculosis
a

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.3.1.122 alpha,alpha-trehalose 6-mycolate
-
 Mycobacterium tuberculosis alpha,alpha-trehalose + alpha,alpha-trehalose 6,6'-bismycolate
-
 ?
2.3.1.122 alpha,alpha-trehalose 6-mycolate
-
 Mycobacterium tuberculosis H37Rv alpha,alpha-trehalose + alpha,alpha-trehalose 6,6'-bismycolate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.3.1.122 antigen 85C
-
 Mycobacterium tuberculosis
2.3.1.122 mycolyltransferase
-
 Mycobacterium tuberculosis

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
2.3.1.122 37
-
 assay at Mycobacterium tuberculosis

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
2.3.1.122 7.5
-
 assay at Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.3.1.122 0.0043
-
 IC50: 0.0043 mM Mycobacterium tuberculosis 1-(3-phenoxy)benzyl 1-octanesulfonate