Finding enzyme cofactors in Protein Data Bank.

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.

SUBMITTER: Mukhopadhyay A 

PROVIDER: S-EPMC6748742 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature