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Ligand Searching
11/13
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Learn more about the the active form of vitamin D found in the body (ID: VDX) in November's Molecule of the Month feature.
Quickly find small molecule components found in PDB entries using any of these tools:
- Simple top bar searching (with autocomplete suggestions)
Click on the Ligand icon to limit your search. Enter a ligand name or the 3-character chemical component ID.
This powerful form can be accessed by selecting the top bar ligand icon and then [ additional ligand options ]. Launch the chemical structure editor to draw a structure, or paste in a SMILES or SMARTS string, and then perform a substructure, exact, similarity, or superstructure search. In addition, ligands can be searched by name, identifier, formula, and molecular weight. A tutorial demonstrating this search is available.
Supports the searches mentioned above, as well as queries by chemical component type, binding affinity, sub-component, and more. These types of searches can be combined and even amended with searches for the associated structures. Learn more about Advanced Search with this tutorial and list of available queries.
Ligand searches return the corresponding Ligand Summary page that contains an overview of the chemical component, 2D and 3D images, links to other resources, and links to related ligands and PDB entries.
All residues and small molecule components found in PDB entries, including standard and modified amino acids/nucleotides, small molecule ligands, ions, and solvent molecules, are described in the wwPDB's Chemical Component Dictionary.
