ActSeek

ActSeek searches structural databases, particularly AlphaFold, for proteins with active sites similar to a seed protein to identify proteins with desired active site environments for enzyme discovery and drug target identification.

Key Features:

• Computer vision-inspired algorithm: ActSeek employs a computer vision-inspired approach to detect and compare active site environments rather than relying on overall protein structure or sequence.
• AlphaFold database mining: ActSeek is implemented to search the AlphaFold database for proteins with matching active site environments.
• Fast search capability: ActSeek performs rapid searches of large structural databases for active site similarity.

Scientific Applications:

• Enzyme discovery: ActSeek identifies enzymes that may be used to produce biodegradable plastics or degrade plastics.
• Drug target identification: ActSeek finds potential off-targets for common drug molecules by detecting similar active site environments.

Methodology:

ActSeek uses a computer vision-inspired algorithm to search structural databases for proteins with active sites similar to a seed protein.