Literature summary for 2.7.1.71 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.

Search for more literature for 2.7.1.71

Application

Application	Comment	Organism
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

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

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Mg2+	required	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	-	?

Cofactor

Cofactor	Comment	Organism	Structure
ATP	-	Mycobacterium tuberculosis

Ki Value [mM]

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

General Information

General Information	Comment	Organism
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
physiological function	shikimate kinase is vital for the survival of Mycobacterium tuberculosis	Mycobacterium tuberculosis

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Release 2023.1 (January 2023)