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Literature summary extracted from
- Mechanistic insight into how beta-ketoacyl ACP synthase I (KasA) recognizes the fatty acid chain length of its substrate (2024), ChemPlusChem, 89, e202300568.
Application
| EC Number | Application | Comment | Organism |
|---|---|---|---|
| 2.3.1.293 | drug development | beta-ketoacyl ACP synthase I (KasA) is a promising drug target against tuberculosis because it plays a pivotal role in the survival of Mycobacterium tuberculosis | Mycobacterium tuberculosis |
Crystallization (Commentary)
| EC Number | Crystallization (Comment) | Organism |
|---|---|---|
| 2.3.1.293 | analysis of the crystal structure of KasA homodimer from Mycobacterium tuberculosis, PDB ID: 2WGD | Mycobacterium tuberculosis |
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 2.3.1.293 | 2,6-dimethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide | - |
Mycobacterium tuberculosis |  |
| 2.3.1.293 | 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide | tr1DG167, inhibits mycolic acid synthesis upon interaction with the KasA substrate pocket | Mycobacterium tuberculosis | |
| 2.3.1.293 | N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide | tr2DG167, inhibits mycolic acid synthesis upon interaction with the KasA substrate pocket | 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 acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | Mycobacterium tuberculosis | - |
an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acp] + CO2 + an [acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | Mycobacterium tuberculosis H37Rv | - |
an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acp] + CO2 + an [acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | Mycobacterium tuberculosis ATCC 25618 | - |
an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acp] + CO2 + an [acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | Mycobacterium tuberculosis | - |
an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acyl-carrier protein] + CO2 + a holo-[acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | Mycobacterium tuberculosis H37Rv | - |
an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acyl-carrier protein] + CO2 + a holo-[acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | Mycobacterium tuberculosis ATCC 25618 | - |
an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acyl-carrier protein] + CO2 + a holo-[acyl-carrier protein] | - |
? | |
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 acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | - |
Mycobacterium tuberculosis | an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acp] + CO2 + an [acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | - |
Mycobacterium tuberculosis H37Rv | an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acp] + CO2 + an [acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | - |
Mycobacterium tuberculosis ATCC 25618 | an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acp] + CO2 + an [acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | - |
Mycobacterium tuberculosis | an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acyl-carrier protein] + CO2 + a holo-[acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | the enzyme catalyzes the reaction elongating only the acyl chain that is 16 carbon atoms in length or longer | Mycobacterium tuberculosis | an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acyl-carrier protein] + CO2 + a holo-[acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | - |
Mycobacterium tuberculosis H37Rv | an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acyl-carrier protein] + CO2 + a holo-[acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | the enzyme catalyzes the reaction elongating only the acyl chain that is 16 carbon atoms in length or longer | Mycobacterium tuberculosis H37Rv | an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acyl-carrier protein] + CO2 + a holo-[acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | - |
Mycobacterium tuberculosis ATCC 25618 | an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acyl-carrier protein] + CO2 + a holo-[acyl-carrier protein] | - |
? | |
| 2.3.1.293 | an ultra-long-chain mono-unsaturated acyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] | the enzyme catalyzes the reaction elongating only the acyl chain that is 16 carbon atoms in length or longer | Mycobacterium tuberculosis ATCC 25618 | an ultra-long-chain mono-unsaturated 3-oxo-fatty acyl-[acyl-carrier protein] + CO2 + a holo-[acyl-carrier protein] | - |
? | |
| 2.3.1.293 | additional information | the enzyme KasA catalyzes the reaction elongating only the acyl chain that is 16 carbon atoms in length or longer, substrate recognization and selection mechanism, and substrate binding structure, molecular dynamics simulations and free energy calculations, modeling, cooperativity of KasA, overview | Mycobacterium tuberculosis | ? | - |
- |
|
| 2.3.1.293 | additional information | the enzyme KasA catalyzes the reaction elongating only the acyl chain that is 16 carbon atoms in length or longer, substrate recognization and selection mechanism, and substrate binding structure, molecular dynamics simulations and free energy calculations, modeling, cooperativity of KasA, overview | Mycobacterium tuberculosis H37Rv | ? | - |
- |
|
| 2.3.1.293 | additional information | the enzyme KasA catalyzes the reaction elongating only the acyl chain that is 16 carbon atoms in length or longer, substrate recognization and selection mechanism, and substrate binding structure, molecular dynamics simulations and free energy calculations, modeling, cooperativity of KasA, overview | Mycobacterium tuberculosis ATCC 25618 | ? | - |
- |
|
Subunits
| EC Number | Subunits | Comment | Organism |
|---|---|---|---|
| 2.3.1.293 | homodimer | - |
Mycobacterium tuberculosis |
| 2.3.1.293 | homodimer | x-ray crystallography | Mycobacterium tuberculosis |
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 I | - |
Mycobacterium tuberculosis |
| 2.3.1.293 | KasA | - |
Mycobacterium tuberculosis |
General Information
| EC Number | General Information | Comment | Organism |
|---|---|---|---|
| 2.3.1.293 | additional information | the catalytic triad comprises residues Cys171, His311, and His345. These catalytic residues are in a neutral state in the resting state and are activated to a zwitterionic state upon substrate binding to attack the substrate. Cys171 is supposed to be activated by the proton transfer from Cys171 to His311 via a mediating water molecule. In the vicinity of the catalytic triad, another important residue, Phe404, is located in front of an acyl binding channel and acts as a gatekeeper of the channel. The conformational change of Phe404 from closed to open conformation triggers the activation of catalytic residues through computer simulations. Structure-function analysis, cooperativity of KasA, modeling, overview | Mycobacterium tuberculosis |
| 2.3.1.293 | physiological function | KasA is an enzyme involved in fatty acid sythesis, FAS II, and it catalyzes a condensation reaction where a malonyl residue is added to a long acyl chain, and therefore, elongates the original acyl chain further by two carbon units. KasA catalyzes the reaction elongating only the acyl chain that is 16 carbon atoms in length or longer | Mycobacterium tuberculosis |
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