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Literature summary for 2.3.1.122 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
Search for more literature for 2.3.1.122

Inhibitors

Inhibitors Comment Organism Structure
1-(3-phenoxy)benzyl 1-octanesulfonate IC50: 0.0043 mM Mycobacterium tuberculosis
3-Phenoxybenzyl alcohol trehalose mimetic inhibitor Mycobacterium tuberculosis
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
N-(hydroxyethyl)phthalimide trehalose mimetic inhibitor Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

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

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WQN9
-
-
Mycobacterium tuberculosis H37Rv P9WQN9
-
-

Reaction

Reaction Comment Organism Reaction ID
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)

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

Synonyms

Synonyms Comment Organism
antigen 85C
-
 Mycobacterium tuberculosis
mycolyltransferase
-
 Mycobacterium tuberculosis

Temperature Optimum [°C]

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

pH Optimum

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

IC50 Value

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