Marts
| Structure | Information about the main structure of the macromolecule: the models, the assemblies, the chains, the residues, the atoms and the coordinates of an entry |
| Header | Header information of the entry that includes authors, keywords, citations and many other |
| Secondary structure | Information about the secondary structure of the macromolecule like sheets, helices and many other. The information contained here is not just what is provided in the entry by the author, but instead external algorithms like DOSS - based on DSSP(W.Kabsch C. Sander(1983) Biopolymers 22:2577-2637) / Promotif [Gail Hutchinson and Janet Thornton 1996 (http://www.biochem.ucl.ac.uk )] - have been applied in a uniform way, in order to provide an consistent platform for comparisons and analysis of secondary structure |
| Taxonomy | Taxonomy information about the organism that was the source of the molecule |
| Active sites | Information about the active sites of the macromolecule, and the way that ligands and drugs bind to a protein. The site information is provided in a uniform and consistent way, since it is calculated internally in PDBe (http://www.ebi.ac.uk/msd-srv/msdsite/index.jsp). The active sites of a protein chain are determined based on the contacts of the chain with a ligand. There are many ways that contacts are defined based on different types of bonds and interactions, that take into account the distance and angles of the atoms, as well as other characteristics of the ligands and residues like planes. An active site can be defined not only for a particular atom, but also for a plane of a molecule. |
| External database links | Cross reference on entry, chain or residue level with external databases like: the Swiss-prot protein sequence database (http://www.ebi.ac.uk/swissprot/), the EC enzyme database (http://ca.expasy.org/enzyme/), the GO gene ontology database (http://www.geneontology.org/), the Interpro database of protein families, domains and functional sites (http://www.ebi.ac.uk/interpro/) and Pfam database of protein families and hidden markov models (http://pfam.wustl.edu/) the Scop database for structural classification of proteins (http://scop.mrc-lmb.cam.ac.uk/scop/) the PubMed database that provides access to millions of MEDLINE citations (http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed) |
| Energy Types | Definition of energy types for atoms of a molecule in the PDB ligand chemistry together with reference information used for refinement dictionaries |
| Ligands | Consistent and enriched library of ligands, small molecules and monomers that are referred as residues and hetgroups in any PDB entry |
Mart Details: E=Number of entities of the Mart