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Literature summary extracted from

  • Kumar, M.; Verma, S.; Sharma, S.; Srinivasan, A.; Singh, T.P.; Kaur, P.
    Structure-based in silico design of a high-affinity dipeptide inhibitor for novel protein drug target shikimate kinase of Mycobacterium tuberculosis (2010), Chem. Biol. Drug Des., 76, 277-284.
    View publication on PubMed

Application

EC Number Application Comment Organism
2.7.1.71 drug development the enzyme is an attractive drug target as it is vital for the survival of Mycobacterium tuberculosis but absent in mammalian hosts Mycobacterium tuberculosis

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.1.71 asxe1
-
 Mycobacterium tuberculosis
2.7.1.71 additional information screening for the dipeptide inhibitor using in silico structure-based design approach, docking analysis, overview Mycobacterium tuberculosis

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
2.7.1.71 Mg2+ required Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.7.1.71 ATP + shikimate Mycobacterium tuberculosis
-
 ADP + 3-phosphoshikimate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.7.1.71 Mycobacterium tuberculosis
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.7.1.71 ATP + shikimate
-
 Mycobacterium tuberculosis ADP + 3-phosphoshikimate
-
 ?

Cofactor

EC Number Cofactor Comment Organism Structure
2.7.1.71 ATP
-
 Mycobacterium tuberculosis

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
2.7.1.71 0.000005
-
 asxe1 pH and temperature not specified in the publication Mycobacterium tuberculosis

General Information

EC Number General Information Comment Organism
2.7.1.71 additional information shikimate binding to the enzyme, docking analysis, conformation of ternary dead-end enzyme-shikimate-ADP complex, molecular dynamics simulation of a fully hydrated model of the docked complex, overview Mycobacterium tuberculosis
2.7.1.71 physiological function shikimate kinase is vital for the survival of Mycobacterium tuberculosis Mycobacterium tuberculosis