Annotation of biologically relevant ligands in UniProtKB using ChEBI.

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 cognate ligands in the UniProt website, REST API and SPARQL endpoint tha

SUBMITTER: Coudert E 

PROVIDER: S-EPMC9825770 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature