Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary extracted from

  • Mtewa, A.G.; Bvunzawabaya, J.T.; Ngwira, K.J.; Lampiao, F.; Maghembe, R.; Okella, H.; Weisheit, A.; Tolo, C.U.; Ogwang, P.E.; Sesaazi, D.C.
    Ligand-protein interactions of plant-isolated (9z,12z)-octadeca-9,12-dienoic acid with beta-ketoacyl-Acp synthase (KasA) in potential anti-tubercular drug designing (2021), Sci. Afr., 12, e00824.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.3.1.293 (9Z,12Z)-octadeca-9,12-dienoic acid isolated from Eichhornia crassipes (collected from Liwonde, Malawi, from the Shire between February and March of 2019) by alcoholic extraction and mass spectrometric analysis, protein-ligand interactions of the ligand with beta-ketoacyl-ACP synthase (KasA) in potential anti-tubercular drug design. Active site docking, the compound interacts only with residues phenylalanine 239 and proline 201 Mycobacterium tuberculosis
2.3.1.293 5-fluoro-N-(3-methyl-1H-indazol-6-yl)pentane-1-sulfonamide interacts with residues proline 201, glutamine 120, alanine 119, leucine 116, glutamine 199, histadine 345, phenylalanine 239, glycine 240, and glycine 200 Mycobacterium tuberculosis
2.3.1.293 Isonicotinic acid hydrazide INH Mycobacterium tuberculosis
2.3.1.293 JSF-3285
-
 Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.3.1.293 an ultra-long-chain mono-unsaturated fatty acyl-[ACP] + malonyl-[ACP] + H+ Mycobacterium tuberculosis
-
 a 3-oxo-ultra-long-chain mono-unsaturated fatty acyl-[ACP] + holo-[ACP] + CO2
-
 ?
2.3.1.293 an ultra-long-chain mono-unsaturated fatty acyl-[ACP] + malonyl-[ACP] + H+ Mycobacterium tuberculosis H37Rv
-
 a 3-oxo-ultra-long-chain mono-unsaturated fatty acyl-[ACP] + holo-[ACP] + CO2
-
 ?
2.3.1.293 an ultra-long-chain mono-unsaturated fatty acyl-[ACP] + malonyl-[ACP] + H+ Mycobacterium tuberculosis ATCC 25618
-
 a 3-oxo-ultra-long-chain mono-unsaturated fatty acyl-[ACP] + holo-[ACP] + CO2
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.3.1.293 Mycobacterium tuberculosis P9WQD9
-
-
2.3.1.293 Mycobacterium tuberculosis ATCC 25618 P9WQD9
-
-
2.3.1.293 Mycobacterium tuberculosis H37Rv P9WQD9
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.3.1.293 an ultra-long-chain mono-unsaturated fatty acyl-[ACP] + malonyl-[ACP] + H+
-
 Mycobacterium tuberculosis a 3-oxo-ultra-long-chain mono-unsaturated fatty acyl-[ACP] + holo-[ACP] + CO2
-
 ?
2.3.1.293 an ultra-long-chain mono-unsaturated fatty acyl-[ACP] + malonyl-[ACP] + H+
-
 Mycobacterium tuberculosis H37Rv a 3-oxo-ultra-long-chain mono-unsaturated fatty acyl-[ACP] + holo-[ACP] + CO2
-
 ?
2.3.1.293 an ultra-long-chain mono-unsaturated fatty acyl-[ACP] + malonyl-[ACP] + H+
-
 Mycobacterium tuberculosis ATCC 25618 a 3-oxo-ultra-long-chain mono-unsaturated fatty acyl-[ACP] + holo-[ACP] + CO2
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.3.1.293 3-oxoacyl-[acyl-carrier-protein] synthase 1 SwissProt Mycobacterium tuberculosis
2.3.1.293 beta-ketoacyl-ACP synthase
-
 Mycobacterium tuberculosis
2.3.1.293 KasA
-
 Mycobacterium tuberculosis

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
2.3.1.293 0.0105
-
 JSF-3285 pH and temperature not specified in the publication Mycobacterium tuberculosis
2.3.1.293 0.345
-
 (9Z,12Z)-octadeca-9,12-dienoic acid pH and temperature not specified in the publication Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.3.1.293 0.0105
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 5-fluoro-N-(3-methyl-1H-indazol-6-yl)pentane-1-sulfonamide
2.3.1.293 0.345
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis (9Z,12Z)-octadeca-9,12-dienoic acid

General Information

EC Number General Information Comment Organism
2.3.1.293 physiological function beta-ketoacyl-ACP synthase (KasA) is the only essential member of three beta-ketoacyl synthases encoded in the Mycobacterium tuberculosis genome. KasA catalyzes the 2-carbon elongation of growing fatty acyl chains in the FAS-II pathway, critical to the biosynthesis of mycolic acids and consequently, the bacterial cell wal Mycobacterium tuberculosis