Sep17: Similarity of bound and cognate ligands in PDB enzyme structures

Published: 27 April 2019| Version 3 | DOI: 10.17632/7c48npgyr8.3
Jon Tyzack


All PDB files in the SIFTS download dated 2017/09/23 with an EC reference were linked to related KEGG reactions, and the similarity of bound ligands to either KEGG reactants or products was calculated using the PARITY method. Rank ordered lists of PDB matches were then generated in terms of similarity of bound ligands to cognate.