Enzyme discovery toolbox
Learn more about the toolbox development
How to use the Enzymares toolbox?
Identify novel enzymes
Search for suitable enzymes
Data
Tools
Data
About the toolbox development
Almost 50 databases in one!
Environmental data integration
Integrated database
Combination of environmental data (Copernicus) with organism observation data (OBIS) can give valuable information on the living conditions of organisms (not publicly available data).
Most data publicly available, but a lot of time was spent on data integration to increase usability and overall value.
Tools
About the toolbox development
- Enhanced Prediction Accuracy, utilizing in-house developed tools alongside state-of-the-art models.
- Increased Reliability, combining multiple existing tools for easy comparison of results. Models are independently tested and selected based on their performance and accuracy.
Protein Thermostability
Optimal enzyme temperature
EC number & enzyme classification
pH
Similarity search (sequence and structure)
Metabolic enzyme cost (based on research article)
Protein Properties: aromaticity, instability index, flexibility, IVYWREL, etc.
Turnover rate prediction (Kcat)
Organism Growth Temperature prediction
Protein/Enzyme cellular localisation and GO terms
Identify novel enzymes
How to use the toolbox
1. Identifying novel enzymes
2. Search for good enzyme candidate
User has an organism of interest
Parameter prediction
Similarity search
- Sequence
- Structure
- Reaction
Toolbox
Input
Output
AA sequence
What if you have 100 genomes? Enzymares pipeline allows WATERFALL FILTERING for enzyme candidates
- Annotate all predicted genes with EC number predictions through deep learning models. Select EC number of interest. 100 000 proteins => 100 proteins
- Homology search for validation (compare with experimentally validated structures). 100 proteins => 10 proteins
- Determine which ones to test first, based on parameter prediction using the tools in the toolbox.
Search for suitable enzymes
How to use the toolbox
1. Identifying novel enzymes
2. Search for good enzyme candidate
Toolbox
Filter demands
Experiments
Input
Output
Enzymares Toolbox
Dirk Hoet
Created on February 26, 2025
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Enzyme discovery toolbox
Learn more about the toolbox development
How to use the Enzymares toolbox?
Identify novel enzymes
Search for suitable enzymes
Data
Tools
Data
About the toolbox development
Almost 50 databases in one!
Environmental data integration
Integrated database
Combination of environmental data (Copernicus) with organism observation data (OBIS) can give valuable information on the living conditions of organisms (not publicly available data).
Most data publicly available, but a lot of time was spent on data integration to increase usability and overall value.
Tools
About the toolbox development
Protein Thermostability
Optimal enzyme temperature
EC number & enzyme classification
pH
Similarity search (sequence and structure)
Metabolic enzyme cost (based on research article)
Protein Properties: aromaticity, instability index, flexibility, IVYWREL, etc.
Turnover rate prediction (Kcat)
Organism Growth Temperature prediction
Protein/Enzyme cellular localisation and GO terms
Identify novel enzymes
How to use the toolbox
1. Identifying novel enzymes
2. Search for good enzyme candidate
User has an organism of interest
Parameter prediction
Similarity search
Toolbox
Input
Output
AA sequence
What if you have 100 genomes? Enzymares pipeline allows WATERFALL FILTERING for enzyme candidates
Search for suitable enzymes
How to use the toolbox
1. Identifying novel enzymes
2. Search for good enzyme candidate
Toolbox
Filter demands
Experiments
Input
Output