Annotation of biologically relevant ligands in UniProtKB using ChEBI.

Journal: Bioinformatics (Oxford, England)
PMID: 36484697

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.

Authors

  • Elisabeth Coudert
    SIB Swiss Institute of Bioinformatics, Centre Medical Universitaire, CH-1211 Geneva 4, Switzerland.
  • Sebastien Gehant
    Swiss-Prot Group, SIB Swiss Institute of Bioinformatics, Centre Medical Universitaire, 1211 Geneva 4, Switzerland.
  • Edouard de Castro
    Swiss-Prot group, SIB Swiss Institute of Bioinformatics, CMU, University of Geneva Medical School, 1211 Geneva, Switzerland. edouard.decastro@sib.swiss.
  • Monica Pozzato
    Swiss-Prot Group, SIB Swiss Institute of Bioinformatics, Centre Medical Universitaire, 1211 Geneva 4, Switzerland.
  • Delphine Baratin
    SIB Swiss Institute of Bioinformatics, Centre Medical Universitaire, CH-1211 Geneva 4, Switzerland.
  • Teresa Neto
    Swiss-Prot Group, SIB Swiss Institute of Bioinformatics, Centre Medical Universitaire, 1211 Geneva 4, Switzerland.
  • Christian J A Sigrist
    Swiss-Prot Group, SIB Swiss Institute of Bioinformatics, Centre Medical Universitaire, 1211 Geneva 4, Switzerland.
  • Nicole Redaschi
    Swiss-Prot Group, SIB Swiss Institute of Bioinformatics, Centre Medical Universitaire, 1211 Geneva 4, Switzerland.
  • Alan Bridge
    Swiss-Prot Group, SIB Swiss Institute of Bioinformatics, CMU, 1 rue Michel-Servet, CH-1211 Geneva 4, Switzerland.

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