RCSB PDB

• Get a structureGet a structure's title, how it was solved and at what resolution, its dates, authors and paper, and the numbers of the molecules, ligands and assemblies in it.
• Get several structuresGet up to 100 structures in one step, each with its title, method, resolution, release date, organisms and paper. IDs the PDB does not have are listed separately.
• Get a molecule from a structureGet one protein, DNA or RNA in a structure: its name, sequence and length, its chains, the organism and genes it comes from, and its UniProt IDs and Pfam families.
• Get a chainGet one chain of a structure: which molecule it is, how many residues were modelled, how much is helix and strand, its CATH, SCOP and ECOD domains, and the ligands touching it.
• Get a biological assemblyGet the form a structure's molecules are thought to take in the cell: how many chains, its symmetry and stoichiometry (such as A2B2), and who defined it.
• Get a ligand in a structureGet one small molecule bound in a structure, such as a heme or a drug: its ligand ID and name, how many copies there are, and which chains they sit on.
• Get a chemical componentLook up a ligand in the PDB's chemical dictionary by its ID, such as HEM or ATP: its name, formula, weight, SMILES and InChIKey, its IDs in DrugBank, PubChem, ChEBI and ChEMBL, and the proteins it is known to act on.
• Get UniProt details for a moleculeGet the UniProt protein a molecule in a structure matches: its accession, name, function, genes, organism, full sequence, keywords and Gene Ontology terms.
• Get a structure's paperGet the paper that describes a structure: title, journal, authors, abstract and subject headings, with links by DOI and on PubMed.
• Get a structure's file linksGet download links for a structure's files: the model as mmCIF, PDB format and BinaryCIF, its sequences as FASTA, each assembly, and the X-ray data or EM maps when they were released. Formats a structure is not published in are left empty.
• Check structure statusCheck up to 100 PDB IDs at once: whether each is released, waiting for release or removed, and what replaced a removed one. IDs the PDB has never had are listed separately.
• Get a removed structureGet what the PDB still records about a structure it removed: its title, authors, dates, why it was removed and which structures replaced it.
• Get an unreleased structureGet a structure that has been deposited but not released: its title, when it was deposited, and why it is waiting, such as being held until its paper is published.
• Search structuresSearch every structure's titles, descriptions, keywords, authors and papers for words, such as a protein, a disease or a gene, and get each match's title, method, resolution and organisms.
• Find structures by organism, method and dateFind structures that match every filter you set: organism, how they were solved, what they contain, how sharp they are, when they were released, a ligand they bind, and keywords. Set at least one.
• Find similar sequencesFind molecules in the PDB whose protein, DNA or RNA sequence is like yours, best match first, with how identical each is and its E-value. Paste a plain sequence or FASTA.
• Find ligands by chemical structureFind ligands in the PDB's chemical dictionary from a molecule you describe as SMILES, InChI or a formula: the same molecule, similar ones, or ones that contain it. Use the ligand IDs found with Find structures by organism, method and date to get the structures they are bound in.
• Find structures with a similar shapeFind structures whose overall 3D shape is like one structure's assembly, whatever their sequence, best match first.

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