Tag category Atom_site
Key tags (columns):
Tags in table Atom_site:
| Tag | Description | data type | Mandatory |
|---|---|---|---|
| Ambiguous_atom_name | A field used to map IUPAC atom nomenclature used in structure to ambiguous atom names used in restraints for calculating the structure. | atcode | |
| Assembly_atom_ID | Pointer to '_Atom.Assembly_atom_ID' | int | |
| Assembly_ID | Pointer to '_Assembly.ID' | int | |
| Auth_alt_ID | Author's alternate location identifier. | code | |
| Auth_asym_ID | Author assigned asymmetric ID. | code | |
| Auth_atom_ID | An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. | code | |
| Auth_atom_name | Author's atom name. | atcode | |
| Auth_chain_ID | Author assigned chain ID | code | |
| Auth_comp_ID | An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. | code | |
| Auth_entity_assembly_ID | Author assigned entity assembly ID. | int | |
| Auth_seq_ID | An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo | code | |
| Cartn_x | The x atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. | float | yes |
| Cartn_x_esd | The standard uncertainty (estimated standard deviation) of '_Atom_site.Cartn_x'. | float | |
| Cartn_y | The y atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. | float | yes |
| Cartn_y_esd | The standard uncertainty (estimated standard deviation) of '_Atom_site.Cartn_y'. | float | |
| Cartn_z | The z atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. | float | yes |
| Cartn_z_esd | The standard uncertainty (estimated standard deviation) of '_Atom_site.Cartn_z'. | float | |
| Conformer_family_coord_set_ID | Pointer to '_Conformer_family_coord_set.ID' | int | yes |
| Details | Text providing additional information about the atom site. | text | |
| Entry_ID | Pointer to '_Entry.ID' | code | yes |
| Footnote_ID | The value of '_Atom_site.Footnote_ID must match an ID specified by '_Atom_sites_footnote.ID'. | int | |
| ID | The value of '_Atom_site.ID' must uniquely identify a record in the atom_site list. | int | yes |
| Label_atom_ID | Pointer to '_Chem_comp_atom.Atom_ID' | atcode | yes |
| Label_comp_ID | Pointer to '_Chem_comp.ID' | code | yes |
| Label_comp_index_ID | Pointer to '_Entity_comp_index.ID' | int | yes |
| Label_entity_assembly_ID | Pointer to '_Entity_assembly.ID' | int | yes |
| Label_entity_ID | Pointer to '_Entity.ID' | int | yes |
| Model_ID | An integer value that uniquely defines the set of coordinates that represent one model for the molecular assembly. | int | yes |
| Model_site_ID | The Model_site_ID item is an integer value that for each model in the table has an initial value of 1 and increments in consecutive integer values for each set of atomic coordinates reported in the model. | int | |
| Occupancy | The percent occupancy of the atom at the atom site defined by the listed coordinates. | float | |
| Occupancy_esd | The standard uncertainty (estimated standard deviation) of '_Atom_site.Occupancy'. | float | |
| Ordered_flag | A value indicating whether the atom at this site is considered in an ordered conformation (1) or is in a disordered conformation (0) in the structure. | int | |
| PDB_atom_name | PDB atom name. | code | |
| PDB_ins_code | PDB insertion code. | code | |
| PDB_model_num | PDB model number. | int | |
| PDB_record_ID | The value is an integer that identifies a record in the atom_site list. This is a place holder for the atom record number extracted from a PDB formatted file. | code | |
| PDB_residue_name | PDB residue name. | code | |
| PDB_residue_no | PDB residue number. | code | |
| PDB_strand_ID | PDB strand id. | code | |
| PDBX_formal_charge | The net integer charge assigned to this atom. This is the formal charge assignment normally found in chemical diagrams. | int | |
| PDBX_label_asym_ID | Pointer to '_Struct_asym.ID' | code | |
| PDBX_label_atom_ID | Atom identifier assigned by the PDB and extracted from the PDB entry. | atcode | |
| PDBX_label_comp_ID | Chemical component identifier assigned by the PDB and extracted from the PDB entry. | code | yes |
| PDBX_label_entity_ID | This data item is provided as a place holder for the label_entity_ID value extracted from a pdbx file. | code | |
| PDBX_label_seq_ID | Residue sequence number assigned by the PDB and extracted from the PDB entry. | int | |
| Sf_ID | Pointer to '_Conformer_family_coord_set.Sf_ID' | int | yes |
| Type_symbol | The value for this tag is a standard IUPAC abbreviation for an element (i.e. H C P etc). | code | yes |
| Uncertainty | A value indicating the confidence in the assigned coordinate values for this atom. | float | |