Finding enzyme cofactors in Protein Data Bank

MOTIVATION: Cofactors are essential for many enzyme reactions. The Protein Data Bank (PDB) contains >67 000 entries containing enzyme structures, many with bound cofactor or cofactor-like molecules. This work aims to identify and categorize these small molecules in the PDB and make it easier to f...

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Detalles Bibliográficos
Autores principales: Mukhopadhyay, Abhik, Borkakoti, Neera, Pravda, Lukáš, Tyzack, Jonathan D, Thornton, Janet M, Velankar, Sameer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2019
Materias:
Applications Notes
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6748742/
https://www.ncbi.nlm.nih.gov/pubmed/30759194
http://dx.doi.org/10.1093/bioinformatics/btz115
Descripción
Sumario:MOTIVATION: Cofactors are essential for many enzyme reactions. The Protein Data Bank (PDB) contains >67 000 entries containing enzyme structures, many with bound cofactor or cofactor-like molecules. This work aims to identify and categorize these small molecules in the PDB and make it easier to find them. RESULTS: The Protein Data Bank in Europe (PDBe; pdbe.org) has implemented a pipeline to identify enzyme cofactor and cofactor-like molecules, which are now part of the PDBe weekly release process. AVAILABILITY AND IMPLEMENTATION: Information is made available on the individual PDBe entry pages at pdbe.org and programmatically through the PDBe REST API (pdbe.org/api). SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

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