articleBioinformaticsDec 9, 2022HYBRID OA

Annotation of biologically relevant ligands in UniProtKB using ChEBI

ECElisabeth CoudertSGSébastien GéhantEDEdouard de CastroMPMonica PozzatoDBDelphine Baratin

SIB Swiss Institute of Bioinformatics · European Bioinformatics Institute · +3 more institutions

PubMed
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Abstract

MOTIVATION: To provide high quality, computationally tractable annotation of binding sites for biologically relevant (cognate) ligands in UniProtKB using the chemical ontology ChEBI (Chemical Entities of Biological Interest), to better support efforts to study and predict functionally relevant interactions between protein sequences and structures and small molecule ligands. RESULTS: We structured the data model for cognate ligand binding site annotations in UniProtKB and performed a complete reannotation of all cognate ligand binding sites using stable unique identifiers from ChEBI, which we now use as the reference vocabulary for all such annotations. We developed improved search and query facilities for…

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310
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24.69
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100%
References
38
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Authors

122

Topics & keywords

Topics
Keywords
  • UniProt
  • Annotation
  • Computer science
  • Computational biology
  • Chemistry
  • Biology
  • Artificial intelligence
  • Biochemistry
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