Ligand Summary Pages


Ligand Summary page for CFF (caffeine).

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Ligand Summary page for CFF (caffeine).

Ligand Summary Pages provide information for all of the entries found in the wwPDB's Chemical Component Dictionary.

Similar to Structure Summary pages for PDB entries, Ligand Summary Pages are organized into widgets that highlight different types of information. 

For example, view the Ligand Summary Page for caffeine (Ligand ID CFF) to access:

  • Chemical Component Summary: an overview of the structure, including name, identifiers, synonyms, and SMILES and InCHI information
  • Related PDB Entries: searches for other structures where the ligand appears as a free ligand
  • Related Ligands: links to Summary Pages for similar ligands and stereoisomers, and automatically enters the ligand in the Chemical Structure Search tool to build related ligand searches
  • Ligand Image: toggles between a static image and a 3D Jmol view
  • Links: connects to information about the chemical component at external resources (BindingDB, HIC-Up, PDBeChem and more) and the RCSB PDB's Ligand Expo

These summaries can be accessed by performing a ligand search, selecting a ligand from a PDB entry's Structure Summary page, and from the Ligand Hits tab for query results.

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