Finding enzyme cofactors in Protein Data Bank.

BIOINFORMATICS(2019)

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摘要
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.
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