|
| 1 | +--- |
| 2 | +layout: tools |
| 3 | +title: "Enzyme Motif Miner" |
| 4 | +contributors: [rehackett, mlarralde] |
| 5 | +handle: enzymm |
| 6 | +status: complete |
| 7 | +type: software |
| 8 | +projects: [function] |
| 9 | + |
| 10 | +# Optional |
| 11 | +website: "https://enzymm.readthedocs.io/en/latest/" |
| 12 | +publications: "https://www.biorxiv.org/content/10.64898/2026.02.10.705182v1" |
| 13 | +doi: "10.64898/2026.02.10.705182" |
| 14 | +image: assets/images/placeholder.png |
| 15 | +tagline: Geometric matching of catalytic motifs in protein structures. |
| 16 | +tags: [bioinformatics, function, enzymm] |
| 17 | + |
| 18 | +# Data and code |
| 19 | +github: ["https://github.com/RayHackett/enzymm"] |
| 20 | +--- |
| 21 | +{% include JB/setup %} |
| 22 | + |
| 23 | + |
| 24 | +## Abstract |
| 25 | +Enzyme Motif Miner, EnzyMM for short, is a computational tool to identify catalytic |
| 26 | +sites in protein structures. It searches protein structures provided by the user |
| 27 | +against a database of templates. EnzyMM ships with a library of catalytic templates |
| 28 | +derived from the Mechanism and Catalytic Site Atlas (M-CSA) but you can also |
| 29 | +generate your own. These templates represent consensus arrangements of catalytic sites |
| 30 | +found in active sites of experimental protein structures. |
| 31 | +By comparing the geometric orientation of amino acids, rather than relying on sequence |
| 32 | +similarity, our approach is very fast while remaining interpretable. |
| 33 | +We can uncover distant relationships between enzymes, suggesting how functions |
| 34 | +may have evolved. Keeping pace with structure prediction, this method is well |
| 35 | +suited for annotating catalytic sites across entire proteomes. |
| 36 | + |
| 37 | +Enzyme Motif Miner is implemented in [Python](https://www.python.org/), supports all versions from [Python 3.7](https://endoflife.date/python) and is provided under an [MIT Licence](https://choosealicense.com/licenses/mit). |
| 38 | + |
| 39 | + |
| 40 | + |
| 41 | +For the actual geometric matching EnzyMM relies on [PyJess](https://github.com/althonos/pyjess) - a [Cython](https://cython.org/) wrapper of [Jess](https://github.com/iriziotis/jess). |
| 42 | +If you just want to try EnzyMM we provide a webserver at https://www.ebi.ac.uk/thornton-srv/m-csa/enzymm . |
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