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Literature summary for 5.5.1.1 extracted from

  • Somboon, T.; Gleeson, M.P.; Hannongbua, S.
    Insight into the reaction mechanism of cis,cis-muconate lactonizing enzymes: a DFT QM/MM study (2012), J. Mol. Model., 18, 525-531.
    View publication on PubMed

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ Mg2+ binds deep within a non-solvent exposed cavity, coordinated by 2 aspartate and 1 glutamic acid residues, a single water molecule and the substrate, in a distorted octahedral form. The carboxylate of cis,cis-muconate binds across the Mg2+ ion in conformations that display mirror-like symmetry in the two different proteins Mycolicibacterium smegmatis
Mg2+ Mg2+ binds deep within a non-solvent exposed cavity, coordinated by 2 aspartate and 1 glutamic acid residues, a single water molecule and the substrate, in a distorted octahedral form. The carboxylate of cis,cis-muconate binds across the Mg2+ ion in conformations that display mirror-like symmetry in the two different proteins Pseudomonas fluorescens

Organism

Organism UniProt Comment Textmining
Mycolicibacterium smegmatis
-
-
-
Pseudomonas fluorescens
-
-
-

Reaction

Reaction Comment Organism Reaction ID
(+)-muconolactone = cis,cis-muconate reaction mechanism, DFT QM/MM calculations and structure-function relationship, overview Mycolicibacterium smegmatis
(+)-muconolactone = cis,cis-muconate reaction mechanism, DFT QM/MM calculations and structure-function relationship, overview Pseudomonas fluorescens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
cis,cis-hexadienedioate conversion of cis,cis-muconate to muconolactone, two proximal Lys residues exist in the active sites, which can potentially lead, via a single intermediate form, to the formation of either the syn- or anti-products. The enzyme from Mycobacterium smegmatis forms a syn-product, overview Mycolicibacterium smegmatis 2,5-dihydro-5-oxofuran-2-acetate
-
r
cis,cis-hexadienedioate conversion of cis,cis-muconate to muconolactone, two proximal Lys residues exist in the active sites, which can potentially lead, via a single intermediate form, to the formation of either the syn- or anti-products. The enzyme from Pseudomonas fluorescens forms an anti-product, overview Pseudomonas fluorescens 2,5-dihydro-5-oxofuran-2-acetate
-
r

Subunits

Subunits Comment Organism
More TIM barrel-like alpha/beta protein fold Mycolicibacterium smegmatis
More TIM barrel-like alpha/beta protein fold Pseudomonas fluorescens

Synonyms

Synonyms Comment Organism
anti-MLE
-
Mycolicibacterium smegmatis
cis,cis-muconate lactonizing enzyme
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Mycolicibacterium smegmatis
cis,cis-muconate lactonizing enzyme
-
Pseudomonas fluorescens
MLE
-
Mycolicibacterium smegmatis
MLE
-
Pseudomonas fluorescens
syn-MLE
-
Pseudomonas fluorescens