CATH functional families predict functional sites in proteins.
Bioinformatics
; 37(8): 1099-1106, 2021 05 23.
Article
en En
| MEDLINE
| ID: mdl-33135053
ABSTRACT
MOTIVATION Identification of functional sites in proteins is essential for functional characterization, variant interpretation and drug design. Several methods are available for predicting either a generic functional site, or specific types of functional site. Here, we present FunSite, a machine learning predictor that identifies catalytic, ligand-binding and protein-protein interaction functional sites using features derived from protein sequence and structure, and evolutionary data from CATH functional families (FunFams). RESULTS:
FunSite's prediction performance was rigorously benchmarked using cross-validation and a holdout dataset. FunSite outperformed other publicly available functional site prediction methods. We show that conserved residues in FunFams are enriched in functional sites. We found FunSite's performance depends greatly on the quality of functional site annotations and the information content of FunFams in the training data. Finally, we analyze which structural and evolutionary features are most predictive for functional sites. AVAILABILITYAND IMPLEMENTATION https//github.com/UCL/cath-funsite-predictor. SUPPLEMENTARY INFORMATION Supplementary data are available at Bioinformatics online.
Texto completo:
1
Bases de datos:
MEDLINE
Asunto principal:
Proteínas
/
Aprendizaje Automático
Tipo de estudio:
Prognostic_studies
/
Risk_factors_studies
Límite:
Humans
Idioma:
En
Revista:
Bioinformatics
Asunto de la revista:
INFORMATICA MEDICA
Año:
2021
Tipo del documento:
Article
País de afiliación:
Reino Unido