Structure Based Enzyme Engineering (SBEE)

Structure Based Enzyme Engineering is the use of protein structure & enzyme mechanism to create novel enzymes. Rebexsess has unique expertise for the rational design of novel enzymes, not found in nature, useful for catalyzing important reactions. Rebexsess has unique capability to offer 3D protein structure based enzyme design for applications in biocatalysis and enzyme/protein engineering, which integrates computational modeling and organic chemistry into synthetic biology. Rebexsess expertise is especially effective to debottleneck along a pathway or to optimize an individual enzyme in a biosynthetic system.

These transformations can be used to create high value targets such as pharmaceutical intermediates or “green routes” to commodity chemicals. A Rebexsess advantage is the seamless integration of the key disciplines of Organic Chemistry, Protein Structure and Function, and small molecule Enzyme Inhibitors and Molecular Recognition of protein-ligand complexes integrated with practical Computational Chemistry. As in drug discovery, high quality models are a key for advancing rational structure-based programs in enzyme engineering. Rebexsess expertise is used to develop high quality 3D models of enzyme mechanism and putative roles for key protein residues. In SBDD models based on protein-ligand complexes are used to design new and better ligands. In SBEE models based on protein-ligand complexes are used to design better enzymes. Thus, the same key tools and intuition important for using protein structure in drug discovery apply to research in biocatalysis.

Services and Feature of Structure Besed Enzyme Engineering

  • Rational 3D protein structural modeling design of both ligand and protein
  • Design new ligands (inhibitors and cofactors) for engineered systems
  • Create new catalysts that do not exist in nature
  • Design mutants of existing enzymes to improve efficiency, productivity
  • Interpretation and rapid improvement of Structure Function Relationship (SFR) of Protein-Ligand Complexes
  • Effective incorporation of Organic Chemistry into 3D models (Unique Rebexsess strength)
  • Powerful input for directed evolution methods
  • Targeted mutation design combined with directed evolution without costly high throughput screening
  • Modeling Approaches

  • Develop 3D models for Enzyme Substrate Complexes
  • Use 3D models to reduce library sizes and increase screening efficiency
  • Use protein structures, homology models and 3D sequence alignments
  • Rational Design on targeted sites of protein to address the numbers problem in directed evolution
  • The Computational Modeling Impact to a Process of Enzyme Engineering:

    Computational chemistry consulting