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Small Molecule Search Results Options
08/31
The “Display Results as” menu manages the search results data type presented.Search results can be returned and displayed as different data types: Structures, Polymer Entities, Non-polymer Entities, Assemblies, or Molecular Definitions.
The Non-polymer Entities option will return small chemicals (enzyme cofactors, ligands, ions, etc) defined by a non-polymer type in the data file. Each non-polymer Entity is assigned an ID containing the PDB ID and entity ID, e.g., 4HHB_3. This option may be useful for exploring small molecules in their macromolecular context, e.g., covalently bound ligands.
The Molecular Definitions option will return components as defined in the Chemical Component Dictionary (CCD) and Biologically Interesting molecule Reference Dictionary (BIRD). Each definition listed links to the summary page for the component. The set of molecular definitions can be exported in .sdf and .mol2 file formats.
