Active Site Mapping

The precise characterization of an enzyme's active site is crucial for understanding its catalytic mechanism, substrate specificity, and potential for engineering. At Creative Enzymes, our Active Site Mapping service provides comprehensive insights into the molecular architecture, key residues, and functional dynamics of enzyme active sites. By combining advanced experimental and computational techniques, we enable clients to identify critical residues, delineate binding pockets, and guide rational design of inhibitors, substrates, or engineered enzymes.

Why Study the Enzyme Active Site

Enzyme active sites are the focal points where substrates bind and reactions occur. Knowledge of active site architecture and functional residues is essential for elucidating reaction mechanisms, predicting substrate compatibility, and designing targeted modulators. Traditional methods such as mutagenesis and kinetic assays, when integrated with modern spectroscopic and computational approaches, offer unprecedented resolution in identifying critical interactions within the active site. Active site mapping thus serves as a foundational tool in biocatalysis, drug discovery, and protein engineering.

Figure 1. The distal sites important to enzymes functions. A, distal hot spots coupled to active center. B, Functional mutations distal from the TEM-1 active sites. (Yu et al., 2022)

Our Service Offerings

Service Workflow

Service Details

Creative Enzymes provides a thorough and customizable Active Site Mapping service encompassing experimental, computational, and analytical approaches:

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Advantages of Our Services

Representative Case Studies

FAQs

• Q: Which enzymes can be analyzed using your active site mapping service?

  A: We can analyze a broad spectrum of enzymes, including hydrolases, oxidoreductases, transferases, lyases, and ligases, for both natural and engineered variants.

• Q: How long does active site mapping typically take?

  A: The timeline varies depending on enzyme complexity and project scope, typically ranging from 6 to 10 weeks. Expedited services are available for urgent projects.

• Q: Are purified enzymes required?

  A: Yes, purified enzymes with confirmed activity are preferred. We can provide enzyme purification service if necessary.

• Q: Can your results support drug or inhibitor design?

  A: Absolutely. Identification of functional residues and binding pockets enables rational inhibitor design and structure-guided drug development.

• Q: What deliverables are included?

  A: Clients receive a detailed report, 3D visualizations of active sites, raw and processed experimental data, computational models, and actionable recommendations.

• Q: Do you offer follow-up consultation?

  A: Yes, our team provides guidance on interpreting results, planning subsequent experiments, and applying insights to enzyme engineering or therapeutic development.