Modern computational methods for rational enzyme engineering

  • What are the applications of enzyme engineering?

    The application of enzyme engineering in the light industry mainly includes: detergent manufacturing (enhancement of detergency), fur industry, gelatin manufacturing, collagen fiber manufacturing (adhesive), toothpaste and cosmetics production, papermaking, photosensitive material production, waste water processing and .

  • What are the benefits of engineered enzymes?

    Enzyme engineering can be used to broaden the substrate range of an enzyme, increase the stability at elevated temperature, at acidic pH, or in organic solvents, and to improve enantioselectivity..

  • What are the methods used in enzyme engineering?

    The general approaches in enzyme engineering include rational designing, semi-rational design, DNA shuffling, structure base design and directed (molecular) evolution, random mutagenesis, cell surface display technique, etc..

  • What are the strategies of enzyme engineering?

    As the rational design of enzymes involves a limited target set of residues, this strategy can be used for creating and searching combinatorial libraries of enzyme variants in order to locate the mutant enzyme with the best performance under the desired conditions..

  • What is the rational design method of enzyme engineering?

    The strategy of rational design to engineer enzymes is to predict the potential mutants based on the understanding of the relationships between protein structure and function, and subsequently introduce the mutations using the site-directed mutagenesis..

  • The rational-design engineering can improve the biochemical properties of enzymes, including the kinetic behaviors, substrate specificity, thermostability, and organic solvent tolerance.
  • There are three major approaches of protein engineering research, namely, directed evolution, rational design, and de novo design.
    Rational design is an effective method of protein engineering when the threedimensional structure and mechanism of the protein is well known.
A deep understanding of the dynamics of the enzyme and the crucial interactions necessary for catalysis is essential for successfully engineering an enzyme. To that end, classical molecular dynamics (MD) is the most suitable computational method.

Ability of an enzyme to catalyse multiple metabolic reactions simultaneously

Enzyme promiscuity is the ability of an enzyme to catalyse a fortuitous side reaction in addition to its main reaction.
Although enzymes are remarkably specific catalysts, they can often perform side reactions in addition to their main, native catalytic activity.
These promiscuous activities are usually slow relative to the main activity and are under neutral selection.
Despite ordinarily being physiologically irrelevant, under new selective pressures these activities may confer a fitness benefit therefore prompting the evolution of the formerly promiscuous activity to become the new main activity.
An example of this is the atrazine chlorohydrolase from Pseudomonas sp. ADP that evolved from melamine deaminase, which has very small promiscuous activity toward atrazine, a man-made chemical.

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