Literature summary for 2.7.1.71 extracted from

Simithy, J.; Fuanta, N.R.; Alturki, M.; Hobrath, J.V.; Wahba, A.E.; Pina, I.; Rath, J.; Hamann, M.T.; DeRuiter, J.; Goodwin, D.C.; Calderon, A.I.
Slow-binding inhibition of Mycobacterium tuberculosis shikimate kinase by manzamine alkaloids (2018), Biochemistry, 57, 4923-4933 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
6-cyclohexamidomanzamine A	noncompetitive inhibition	Mycobacterium tuberculosis
6-deoxymanzamine X	noncompetitive inhibition	Mycobacterium tuberculosis
8-hydroxymanzamine A	noncompetitive inhibition	Mycobacterium tuberculosis
manzamine A	noncompetitive inhibition	Mycobacterium tuberculosis
manzamine E	noncompetitive inhibition	Mycobacterium tuberculosis
manzamine F	noncompetitive inhibition	Mycobacterium tuberculosis
Rifampin	-	Mycobacterium tuberculosis

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Mg2+	5 mM used in assay conditions	Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

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

Organism

Organism	UniProt	Comment	Textmining
Mycobacterium tuberculosis	-	-	-

Substrates and Products (Substrate)

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

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0024	-	6-cyclohexamidomanzamine A	estimated Ki-value determined with varied shikimate concentrations and a fixed ATP concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis
0.0032	-	6-cyclohexamidomanzamine A	estimated Ki-value determined with varied ATP concentrations and a fixed shikimate concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis
0.011	-	8-hydroxymanzamine A	estimated Ki-value determined with varied ATP concentrations and a fixed shikimate concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis
0.012	-	6-deoxymanzamine X	estimated Ki-value determined with varied shikimate concentrations and a fixed ATP concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis
0.015	-	8-hydroxymanzamine A	estimated Ki-value determined with varied shikimate concentrations and a fixed ATP concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis
0.021	-	6-deoxymanzamine X	estimated Ki-value determined with varied ATP concentrations and a fixed shikimate concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis
0.022	-	manzamine F	estimated Ki-value determined with varied shikimate concentrations and a fixed ATP concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis
0.04	-	manzamine F	estimated Ki-value determined with varied ATP concentrations and a fixed shikimate concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis
0.058	-	manzamine E	estimated Ki-value determined with varied shikimate concentrations and a fixed ATP concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis
0.063	-	manzamine E	estimated Ki-value determined with varied ATP concentrations and a fixed shikimate concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis
0.12	-	manzamine A	estimated Ki-value determined with varied ATP concentrations and a fixed shikimate concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis
0.151	-	manzamine A	estimated Ki-value determined with varied shikimate concentrations and a fixed ATP concentration, at pH 7.6 and 25°C	Mycobacterium tuberculosis

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Release 2023.1 (January 2023)