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Structures: Dealing with Coordinates The primary information
stored in the PDB archive consists of coordinate files for
biological molecules. These files list the atoms in each
protein, and their 3D location in space. These files are
available in several formats (PDB, mmCIF, XML). A typical PDB
formatted file includes a large "header" section of text that
summarizes the protein, citation information, and the details of
the structure solution, followed by the sequence and a long list
of the atoms and their coordinates. The archive also contains
the experimental observations that are used to determine these
atomic coordinates. When you start exploring the structures in
the PDB archive, you will need to know a few things about
coordinate files. Major topics are included here. ATOMs and
HETATMs A typical PDB format file will contain atomi