de novo computational enzyme design.

Area of Science:

• Systems and synthetic biology
• Metabolic engineering
• Industrial biotechnology

Background:

• Cell factories require novel catalysts for sustainable production of fuels and chemicals.
• Enzymes for reactions not found in nature are needed for advanced biotechnology.
• De novo computational enzyme design is a new method to create custom enzymes.

Purpose of the Study:

• To review chemical reactions catalyzed by de novo designed enzymes.
• To discuss biochemical and structural characterization of designed enzymes.
• To explore combining computational design with protein engineering.

Main Methods:

• De novo computational enzyme design.
• Biochemical characterization.
• Structural studies.
• Protein engineering.

Main Results:

• Active protein catalysts have been designed for various chemical reactions.
• Detailed biochemical and structural data are available for designed enzymes.
• Combining computational and traditional protein engineering shows promise.

Conclusions:

• De novo computational enzyme design can create enzymes for novel reactions.
• Integration with protein engineering can overcome current design limitations.
• This approach can lead to enzymes with catalytic proficiencies comparable to natural enzymes.