Data Item _atom_site.id

General

Item name
_atom_site.id
Category name
atom_site
Attribute name
id
Required in PDB entries
yes
Used in current PDB entries
Yes, in about 100.0 % of entries

Item Description

The value of _atom_site.id must uniquely identify a record in the ATOM_SITE list. Note that this item need not be a number; it can be any unique identifier. This data item was introduced to provide compatibility between small-molecule and macromolecular CIFs. In a small-molecule CIF, _atom_site_label is the identifier for the atom. In a macromolecular CIF, the atom identifier is the aggregate of _atom_site.label_alt_id, _atom_site.label_asym_id, _atom_site.label_atom_id, _atom_site.label_comp_id and _atom_site.label_seq_id. For the two types of files to be compatible, a formal identifier for the category had to be introduced that was independent of the different modes of identifying the atoms. For compatibility with older CIFs, _atom_site_label is aliased to _atom_site.id. In general, this aggregate identifier does not uniquely identify an atom site as for non-polymers _atom_site.label_seq_id is '.'.
 5
 C12
 Ca3g28
 Fe3+17
 H*251
 boron2a
 C_a_phe_83_a_0
 Zn_Zn_301_A_0

Data Type

Data type code
code
Data type detail
code item types/single words ...
Primitive data type code
char
Regular expression
[][_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*

Aliases

Alias Item Name Dictionary Name Dictionary Version
_atom_site_label cif_core.dic 2.0.1