News
New Ligand Summary Pages
11/23
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 use a widget framework to highlight different types of information about the small molecule components found in PDB entries. These entries 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.
For example, view the Ligand Summary Page for HEM.
A Chemical Component Summary provides an overview of the structure, including name, identifiers, synonyms, and SMILES and InCHI information.
A Related Entries widget links to all PDB entries where the ligand appears as a polymeric residue, a free ligand, or both.
The Related Ligands widget links to summary pages for similar ligands and stereoisomers, and automatically enters the ligand in the RCSB PDB's Chemical Structure Search to build related ligand searches.
Toggle between a static image and a 3D Jmol view using the Ligand Image widget.
The Links widget lets users explore information related to the same chemical component at external resources (BindingDB, HIC-Up, PDBeChem and more) and the RCSB PDB's Ligand Expo.
For more information on this feature and other recent enhancements to the website, see the What's New page.
