metabolite mapping - from PDB ligand to KEGG
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7.5 years ago

Dear all

I am having some problem in mapping many of my PDB Ligands (Hetero ID for pdb ligands) to KEGG IDs or Chebi. As i have a large number of ligands, i want in an automated way of the mapped ligands in either KEGG or HMDB/ChEBI.

I found mapping between cheEBI and KEGG, not for PDB Hetero code to KEGG ID. Is there any direct mapping list available?

Pls. suggest

alignment • 1.6k views
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Entering edit mode
7.5 years ago
Prasad ★ 1.6k

have you tried biodbnet db2db??

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7.5 years ago

PDB Id Ligand Names SIA sialic acid ATP adenosine triphosphate GLU alpha glucose BTN Biotin HEM Heme

Let's say I have these ligands..i want the corresponding KEGG ID, if found.

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