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Literature summary for 1.13.11.40 extracted from

  • Saura, P.; Suardiaz, R.; Masgrau, L.; Gonzalez-Lafont, A.; Rosta, E.; Lluch, J.
    Understanding the molecular mechanism of the Ala-versus-Gly concept controlling the product specificity in reactions catalyzed by lipoxygenases a combined molecular dynamics and QM/MM study of coral 8R-lipoxygenase (2017), ACS Catal., 7, 4854-4866 .
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Crystallization (Commentary)

Crystallization (Comment) Organism
purified enzyme 8R-LOX containing the arachidonate substrate in subunit C Plexaura homomalla

Protein Variants

Protein Variants Comment Organism
G427A site-directed mutagenesis. In wild-type, molecular oxygen adds to C8 of arachidonic acid with an R stereochemistry. In the mutant, Ala427 pushes Leu385, blocks the region over C8, and opens an oxygen access channel now directed to C12, where molecular oxygen is added with an S stereochemistry. Thus, the specificity turns out to be dramatically inverted Plexaura homomalla

Organism

Organism UniProt Comment Textmining
Plexaura homomalla
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Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
additional information usage of a combination of molecular dynamics simulations with quantum mechanics/molecular mechanics calculations to study the hydrogen abstraction step and the molecular oxygen addition step of the hydroperoxidation reaction of arachidonic acid catalyzed by both wild-type Coral 8R-LOX and its Gly427Ala mutant Plexaura homomalla ?
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Synonyms

Synonyms Comment Organism
8R-lipoxygenase
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 Plexaura homomalla

General Information

General Information Comment Organism
additional information molecular dynamics simulations, quantum mechanics/molecular mechanics calculations, overview. In wild-type, molecular oxygen adds to C8 of arachidonic acid with an R stereochemistry. In the mutant, Ala427 pushes Leu385, blocks the region over C8, and opens an oxygen access channel now directed to C12, where molecular oxygen is added with an S stereochemistry. Thus, the specificity turns out to be dramatically inverted Plexaura homomalla
physiological function lipoxygenases (LOXs) are a family of enzymes that catalyze the highly specific hydroperoxidation of polyunsaturated fatty acids, such as arachidonic acid. Different stereo- or/and regioisomer hydroperoxidation products lead later to different metabolites that exert opposite physiological effects in the animal body and play a central role in inflammatory processes. The Gly-Ala switch of a single residue is crucial for the stereo- and regiocontrol in many lipoxygenases Plexaura homomalla