Item _atom_site.id

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 facilitate compatibility between
               small molecule and macromolecular files. In the small molecule
               files, _atom_site_label is the identifier for the atom. In the
               macromolecular files, 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 atoms. For compatibility with older files,
               _atom_site_label is aliased to _atom_site.id.

Category

Item Examples

Example 1:

5

Example 2:

C12

Example 3:

Ca3g28

Example 4:

Fe3+17

Example 5:

H*251

Example 6:

boron2a

Example 7:

C_a_phe_83_a_0

Example 8:

Zn_Zn_301_A_0

Mandatory Code

Data Type Code

Alias Names

Child Items

• _atom_site_anisotrop.id
• _geom_angle.atom_site_id_1
• _geom_angle.atom_site_id_2
• _geom_angle.atom_site_id_3
• _geom_bond.atom_site_id_1
• _geom_bond.atom_site_id_2
• _geom_contact.atom_site_id_1
• _geom_contact.atom_site_id_2
• _geom_hbond.atom_site_id_A
• _geom_hbond.atom_site_id_D
• _geom_hbond.atom_site_id_H
• _geom_torsion.atom_site_id_1
• _geom_torsion.atom_site_id_2
• _geom_torsion.atom_site_id_3
• _geom_torsion.atom_site_id_4