Finding enzyme cofactors in Protein Data Bank

Bioinformatics. 2019 Sep 15;35(18):3510-3511. doi: 10.1093/bioinformatics/btz115.

Abstract

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Coenzymes
  • Databases, Protein*
  • Europe
  • Protein Conformation

Substances

  • Coenzymes