Year: 2022
Type: article
Abstract: When bioprospecting for novel industrial enzymes, substrate promiscuity is a desirable property that increases the reusability of the enzyme. Among industrial enzymes, ester hydrolases have great relevance for which the demand has not ceased to increase. However, the search for new substrate promiscuous ester hydrolases is not trivial since the mechanism behind this property is greatly influenced by the active site's structural and physicochemical characteristics. These characteristics must be computed from the 3D structure, which is rarely available and expensive to measure, hence the need for a method that can predict promiscuity from sequence alone. Here we report such a method called EP-pred, an ensemble binary classifier, that combines three machine learning algorithms: SVM, KNN, and a Linear model. EP-pred has been evaluated against the Lipase Engineering Database together with a hidden Markov approach leading to a final set of ten sequences predicted to encode promiscuous esterases. Experimental results confirmed the validity of our method since all ten proteins were found to exhibit a broad substrate ambiguity.
Source: Biomolecules
DOI: 10.3390/biom12101529
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: gold
Estimated APC paid: $2,199
Awards: G1175115578, G1363966722, G1855990336, G2030845156, G2262748287, G2309174360, G2601397997, G2660406951, G2673512141, Transition towards environment-friendly consumer products by co-creation of an oxidoreductase foundry, G300979063, G330101941, G3480869486, G3518538256, G35757357, G3681454997, G3683909761, G3690828678, G4042783231, G410571670, G425668148, G430777504, G434337789, G4415506788, G451917667, G5080475149, G5195188938, G5410070719, G5421974903, G5539308778, G5787276900, G5805502524, G5967599077, G6366842693, Technologies of the Future for Low-Cost Enzymes for Environment-Friendly Products, G7084143925, G7122039080, G7613257594, G8130184278, G8260398903, G8581611709, G8684520763, G99296377
OpenAlex ID: W4307122022