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Use Case 1: Finding PDBs with the Most Similar Bound Ligands to KEGG R01026 Use Case 2: Finding PDBs with the Most Similar Bound Ligands to EC 4.2.1.75 Rank Ordered Similarity for Each KEGG and EC A limitation of the methodology described is the potentially imprecise matching of PDB to KEGG via the EC reference number(s) in SIFTS.
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