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Literature summary for 4.1.1.11 extracted from

  • Sharma, R.; Kothapalli, R.; Van Dongen, A.M.; Swaminathan, K.
    Chemoinformatic identification of novel inhibitors against Mycobacterium tuberculosis L-aspartate alpha-decarboxylase (2012), PLoS ONE, 7, e33521.
    View publication on PubMedView publication on EuropePMC
Search for more literature for 4.1.1.11

Application

Application Comment Organism
drug development the enzyme is a good drug target Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
(2S,3R,4S,5S)-2,3,4,6-tetrahydroxy-5-mercaptohexanal ZINC03871163 Mycobacterium tuberculosis
(2S,3S,4R,5R)tetrahydro-2H-pyran2,3,4,5-tetraol ZINC03606295 Mycobacterium tuberculosis
(2S,3S,4R,5S)2,5bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol ZINC03830875 Mycobacterium tuberculosis
(2S,3S,4S,5R)-2(hydroxymethyl) tetrahydro-2H-pyran-2,3,4,5-tetraol ZINC03830878 Mycobacterium tuberculosis
(S)-5-acetoxy-4-methylpentanoate ZINC02036492 Mycobacterium tuberculosis
(S)-thiazolidin-3-ium-4-carboxylate ZINC00967474 Mycobacterium tuberculosis
1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one ZINC05177572 Mycobacterium tuberculosis
3-amino-4-(propylamino)cyclobutane-1 2-dione LIGAND10436 Mycobacterium tuberculosis
additional information potential inhibitor molecule docking using the enzyme's crystal structure, overview Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
L-aspartate Mycobacterium tuberculosis
-
 beta-alanine + CO2
-
 ?

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis
-
 gene panD
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
L-aspartate
-
 Mycobacterium tuberculosis beta-alanine + CO2
-
 ?

Synonyms

Synonyms Comment Organism
L-Aspartate alpha-decarboxylase
-
 Mycobacterium tuberculosis
MtbADC
-
 Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
pyruvoyl cofactor dependent on Mycobacterium tuberculosis

General Information

General Information Comment Organism
evolution L-aspartate alpha-decarboxylase belongs to a class of pyruvoyl dependent enzymes Mycobacterium tuberculosis
metabolism L-aspartate alpha-decarboxylase catalyzes the conversion of aspartate to beta-alanine in the pantothenate pathway, which is critical for the growth of Mycobacterium tuberculosis Mycobacterium tuberculosis
additional information the enzyme active site is formed by the interface of a dimer, with relatively small volume. This cleft can support only molecules of relatively small size Mycobacterium tuberculosis