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Literature summary for 2.3.1.180 extracted from

  • Shamim, A.; Abbasi, S.W.; Azam, S.S.
    Structural and dynamical aspects of Streptococcus gordonii FabH through molecular docking and MD simulations (2015), J. Mol. Graph. Model., 60, 180-196.
    View publication on PubMed
Search for more literature for 2.3.1.180

Application

Application Comment Organism
drug development beta-ketoacyl-ACP-synthase III (FabH or KAS III) has become an attractive target for the development of antibacterial agents which can overcome the multidrug resistance Streptococcus gordonii

Inhibitors

Inhibitors Comment Organism Structure
methyl-CoA disulfide inhibition mechanism involving enzyme residues His249 and Cys112, overview Streptococcus gordonii
thiolactomycin
-
 Streptococcus gordonii

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
acetyl-CoA + a malonyl-[acyl-carrier protein] Streptococcus gordonii
-
 an acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
 ?
acetyl-CoA + a malonyl-[acyl-carrier protein] Streptococcus gordonii ATCC 35105
-
 an acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
 ?

Organism

Organism UniProt Comment Textmining
Streptococcus gordonii A8AYW5
-
-
Streptococcus gordonii ATCC 35105 A8AYW5
-
-

Reaction

Reaction Comment Organism Reaction ID
acetyl-CoA + a malonyl-[acyl-carrier protein] = an acetoacetyl-[acyl-carrier protein] + CoA + CO2 proposed mechanism of condensation reaction in Streptococcus gordonii FabH between catalytic residues His249, Asn279 and Cys112 Streptococcus gordonii
a

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
acetyl-CoA + a malonyl-[acyl-carrier protein]
-
 Streptococcus gordonii an acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
 ?
acetyl-CoA + a malonyl-[acyl-carrier protein]
-
 Streptococcus gordonii ATCC 35105 an acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
 ?

Subunits

Subunits Comment Organism
More secondary structure elements of the FabH protein, comparison with the enzyme from Enterococcus faecalis, overview Streptococcus gordonii

Synonyms

Synonyms Comment Organism
beta-ketoacyl-ACP-synthase III
-
 Streptococcus gordonii
FabH
-
 Streptococcus gordonii
KAS III
-
 Streptococcus gordonii

Cofactor

Cofactor Comment Organism Structure
acetyl-CoA
-
 Streptococcus gordonii

General Information

General Information Comment Organism
additional information active site and substrate binding, ligand binding, molecular dynamics simulations and binding site mapping, detailed overview Streptococcus gordonii