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Literature summary for 2.3.1.164 extracted from

  • Moreno-Vargas, L.; Correa-Basurto, J.; Maroun, R.C.; Fernandez, F.J.
    Homology modeling of the structure of acyl coA:isopenicillin N-acyltransferase (IAT) from Penicillium chrysogenum. IAT interaction studies with isopenicillin-N, combining molecular dynamics simulations and docking (2012), J. Mol. Model., 18, 1189-1205.
    View publication on PubMed

Cloned(Commentary)

Cloned (Comment) Organism
gene penDE Penicillium chrysogenum

Molecular Weight [Da]

Molecular Weight [Da] Molecular Weight Maximum [Da] Comment Organism
40000
-
pro-enzyme Penicillium chrysogenum

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
phenylacetyl-CoA + isopenicillin N + H2O Penicillium chrysogenum
-
CoA + penicillin G + L-2-aminohexanedioate
-
?

Organism

Organism UniProt Comment Textmining
Penicillium chrysogenum P15802 gene penDE
-

Posttranslational Modification

Posttranslational Modification Comment Organism
proteolytic modification the proenzyme is processed autocatalytically to generate two polypeptides forming alpha-subunit and beta-subunit Penicillium chrysogenum

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
phenylacetyl-CoA + isopenicillin N + H2O
-
Penicillium chrysogenum CoA + penicillin G + L-2-aminohexanedioate
-
?
phenylacetyl-CoA + isopenicillin N + H2O IAT substitutes the alpha-aminoadipic acid side chain of isopenicillin N by a phenylacetic acid phenolate group from phenylacetyl-CoA Penicillium chrysogenum CoA + penicillin G + L-2-aminohexanedioate
-
?

Subunits

Subunits Comment Organism
dimer three-dimensional structure determined by homology modeling and molecular docking in different snapshots, and refined by molecular dynamic simulations, detailed overview. The gene for IAT, penDE, encodes a 357 residue proenzyme with a molecular weight of 40 kDa, which is processed autocatalytically to generate two polypeptides of 102 residues as alpha-subunit and 255 residues as beta-subunit Penicillium chrysogenum

Synonyms

Synonyms Comment Organism
acyl coA:isopenicillin N-acyltransferase
-
Penicillium chrysogenum
IAT
-
Penicillium chrysogenum

General Information

General Information Comment Organism
metabolism in the last step of penicillin biosynthesis, acyl-CoA:isopenicillin N acyltransferase catalyzes the conversion of isopenicillin N to penicillin G Penicillium chrysogenum
additional information substrate binding structure determined by homology modeling and molecular docking in different snapshots, and refined by molecular dynamic simulations. A site located in the region generated by beta1, beta2 and beta5 strands, which forms part of the central structure of beta-subunit, as the potential binding site of isopenicillin N, which establishes interactions with Cys103, Leu169, Gln172, Asp264, and Arg310, detailed overview Penicillium chrysogenum