Items in the ambiguous_atom_chem_shift category define how ambiguous assigned chemical shifts from the atom_chem_shift category should be grouped. ? Pointer to '_Atom_chem_shift.ID' ? An integer value that defines a set of chemical shifts that form a mutually ambiguous group. For ambiguity codes of 4 or 5, various combinations of assigned chemical shifts may form sets where the chemical shift assignments are not specifically known, but it is known that the chemical shifts belong to one atom in the set. ? Pointer to '_Entry.ID' ? Pointer to '_Assigned_chem_shift_list.ID' ? Items in the angle category define a unique identifier for each angle described by three linked atoms in the molecular assembly. ? Name for the angle defined as a community recognized standard. ? Pointer to '_Atom.Assembly_atom_ID' ? Pointer to '_Atom.Assembly_atom_ID' ? Pointer to '_Atom.Assembly_atom_ID' ? Pointer to '_Chem_comp_atom.Atom_ID' ? Pointer to '_Chem_comp_atom.Atom_ID' ? Pointer to '_Chem_comp_atom.Atom_ID' ? Standard symbol used to define the atom element type. ? Standard symbol used to define the atom element type. ? Standard symbol used to define the atom element type. ? Pointer to '_Chem_comp.ID' ? Pointer to '_Chem_comp.ID' ? Pointer to '_Chem_comp.ID' ? Pointer to '_Entity_comp_index.ID' ? Pointer to '_Entity_comp_index.ID' ? Pointer to '_Entity_comp_index.ID' ? Pointer to a saveframe of the category 'chem_comp' ? Pointer to a saveframe of the category 'chem_comp' ? Pointer to a saveframe of the category 'chem_comp' ? Pointer to '_Entity_assembly.ID' ? Pointer to '_Entity_assembly.ID' ? Pointer to '_Entity_assembly.ID' ? Pointer to '_Entity.ID' ? Pointer to '_Entity.ID' ? Pointer to '_Entity.ID' ? Pointer to a saveframe of the category 'entity' ? Pointer to a saveframe of the category 'entity' ? Pointer to a saveframe of the category 'entity' ? Pointer to '_Entity_poly_seq_scheme.Seq_ID' ? Pointer to '_Entity_poly_seq_scheme.Seq_ID' ? Pointer to '_Entity_poly_seq_scheme.Seq_ID' ? Unique identifier for the angle that is valid across the full molecular assembly. ? Pointer to '_Entry.ID' ? Pointer to '_Assembly.ID' ? category description not available ? Pointer to '_Atom.Assembly_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. HB1 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. DPN 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 for Seq_ID or Comp_index_ID. -3 Order parameter value for the chi1 torsion angle in a protein. ? Order parameter value for the chi2 torsion angle in a protein. ? Pointer to '_Chem_comp.ID' ? Pointer to '_Entity_comp_index.ID' ? Pointer to '_Entity_assembly.ID' ? Pointer to '_Entity.ID' ? Order parameter value for the phi torsion angle in a protein. ? Order parameter value for the psi torsion angle in a protein. ? Pointer to '_Entity_poly_seq_scheme.Seq_ID' ? Unique identifier for the reported angular order parameter value. ? Pointer to '_Entry.ID' ? Pointer to '_Angular_order_parameter_list.ID' ? Items in the angular_order_parameter_list category provide information about a list of reported angular order parameter values. ? The name of the file submitted with this depostion that contains the quantitative data for this saveframe. ? Category definition for the information content of the saveframe ? A label for the saveframe that describes in very brief terms the information contained in the saveframe. ? A set of angular order parameter data formatted as ASCII text. ? The data format used to represent the angular order parameter data as ASCII text in the text block that is the value to the '_Assigned_chem_shift.Text_data' tag. ? Pointer to '_Entry.ID' ? Unique identifier for the list of reported angular order parameters. ? Items in the assembly category describe the molecular assembly studied. ? A yes/no flag automatically filled in by BMRB software on the basis of information (tag _Mol_ambiguous_moiety_sites) provided in the saveframes used to described the molecules in the system. yes A yes/no flag automatically filled in by BMRB software on the basis of the information (tag _Molecule_ambiguous conformational_states) provided in the saveframes used to described the molecules in the system. yes Unique identifier for the molecular system in the BMRB library of molecular system definitions. ? Date the database was queried to derive links to the molecular assembly studied. GenBank is the database queried for these links. ? The last date when new links to the molecular assembly were found through the database query. ? Text description for the molecular system studied. ? The Enzyme Commission decimal code (number) assigned to the protein or molecular assembly, if available. 2.1.5.8.2 Total number of metal ions known to exist in the molecular system 1 Mass of the molecular system in Daltons. This value may be approximate. 17600 A yes/no flag that indicates when two molecular components in the system are in chemical exchange (I.e. a ligand that exists in both the free and bound state). yes Brief descriptive name for the molecular assembly studied. 'p53 tetramer' The molecular assembly contains covalent bonds such as cross-linking disulfide bonds; non-standard residue-residue bonds; ligand-residue bonds; or metal coordination bonds. yes An integer that represents the total number of molecular components that comprise the molecular system. 4 Total number of organic ligands known to exist in the full molecular system. 1 A Yes or No flag used to describe whether the system is paramagnetic. yes Category assigned to the information in the saveframe. ? A descriptive label for the molecular assembly studied. ? Description of the state of the thiol groups in the molecular system. all disulfide bound Pointer to '_Entry.ID' ? A code that uniquely identifies the molecular assembly described in the saveframe. ? category description not available ? Text providing additional information regarding the annotation provided for the assembly and/or its subsystems. ? Category assigned to the information in the saveframe. ? The framecode for the save frame where author defined annotations for the molecular assembly studied are provided. ? Code defining the source of the annotation provided. ? Pointer to '_Entry.ID' ? An integer value that uniquely defines the assembly annotation saveframe from other assembly annotation saveframes in the entry. ? Items in the assembly_bio_function category describe the biological functions carried out by a molecular assembly. ? Very brief description of the biological function of the entity assembly. ? Pointer to '_Entry.ID' ? Pointer to '_Assembly.ID' ? Items in the assembly_citation category provide a pointer to a citation where the molecular assembly is described. ? Pointer to a saveframe of the category citation. ? Pointer to '_Citation.ID' ? Pointer to '_Entry.ID' ? Pointer to '_Assembly.ID' ? Items in the assembly_common_name category define common names associated with the molecular assembly. ? Common names may have different types (full names$ abbreviations$ etc.) abbreviation Synonyms commonly used to name the molecular assembly. p53 Pointer to '_Entry.ID' ? Pointer to '_Assembly.ID' ? Items in the assembly_db_link category capture information about databases and accession codes of entries related to the molecular assembly. ? Flag indicating if the database accession number was supplied by the author . yes Any text information relevant to the database entry. ? Experimental method used to generate the data in the database entry. X-ray Code given to the molecule by the database where the entry is located. ? Name of the molecular assembly in the database entry. ? Relationship between the database entry and this BMRB entry. Structure for the free repressor that is bound to DNA in this study. The resolution of the data in a structure entry. 1.3A Abbreviation for the database PDB Accession code for the entry in the database. 1brv Pointer to '_Entry.ID' ? Pointer to '_Assembly.ID' ? Items in the assembly_interaction category capture information about the types of interactions between components of the molecular assembly. ? Identifier for the first component of the assembly that is involved interaction. Pointer to '_Entity_assembly.ID' 1 Identifier for the second component of the assembly involved in the interaction. Pointer to '_Entity_assembly.ID' 2 covalent- noncovalent/coordination- confromational/configurational exchange- chemical exchange protein-protein Unique identifier for the interaction between two components of the assembly. 1 Pointer to '_Entry.ID' ? Pointer to '_Assembly.ID' 1 Items in the assembly_keyword category provide keywords describing the molecular system. ? A word or very brief phrase that provide a concise description of the entity assembly. ? Pointer to '_Entry.ID' ? Pointer to '_Assembly.ID' ? Items in the assembly_segment category define at levels from atom to chemical component subsets of the assembly. The subsets may be but are not limited to contiguous atoms or components of the assembly. As an example, the active site of a molecular assembly could be defined as a segment. ? Pointer to '_Atom.Assembly_atom_ID' ? Pointer to '_Assembly.ID' ? Pointer to '_Chem_comp_atom.Atom_ID' ? Pointer to '_Chem_comp.ID' ? Pointer to '_Entity_comp_index.ID' ? Pointer to a saveframe of the category 'chem_comp' ? Pointer to '_Entity_assembly.ID' ? Pointer to '_Entity.ID' ? Pointer to a saveframe of the category 'entity' ? Pointer to '_Entry.ID' ? Pointer to '_Entity_poly_seq_scheme.Seq_ID' ? Integer value that uniquely defines the segment of the molecular assembly described. This tag is not the primary key for this table. ? Items in the assembly_segment_description category provide a description of an assembly segment. ? Pointer to '_Assembly_segment.ID' ? Code that defines the type of assembly segment. ? Text providing additional information about the assembly segment. ? Pointer to '_Entry.ID' ? Pointer to '_Assembly.ID' ? category description not available ? Chemical Abstract Services name that applies to the assembly subsystem. ? Chemical Abstract Services registry number that applies to the assembly subsystem. ? Date that this table was updated with links to external databases. ? Date that the last query has been conducted to locate entries in external databases that are related to the assembly subsystem. ? Additional information relevant to the data in the current saveframe or to a specific data item is entered as a value to this tag. The information entered must supplement information already present. Whenever possible data should associated with specific data tags and not included in the value to a '_Details' tag. ? Identification number defined by the Enzyme Commission for the protein molecular system, or biological molecular system described in the saveframe. 3.1.3.5.3 The approximate mass of the system as defined by the authors and is intended to approximate the sum of the masses of all of the atoms in the system. No attempt is made to define the mass at a specific pH value, in terms of the protonation state of any pH titratable groups, or according to the incorporation of isotopes. 24000 Author supplied name for the assembly subsystem. ? Category assigned to the information in the saveframe. ? A descriptive label that uniquely identifies this molecular subsystem from all other subsystems of the molecular assembly studied. ? Pointer to '_Entry.ID' ? An integer value that uniquely defines the subsystem of the molecular assembly described. An assembly subsystem contains a subset of the components of the full molecular assembly, but does not consist of fragments of the molecular assembly components. ? Items in the assembly_systematic_name category capture systematic naming systems and the systematic name for the molecular assembly. ? Name for the molecular assembly that has been assigned by an organization or derived using rules defined by an organization recognized by the scientific community. ? A recognized or common systematic method used to name molecules and molecular systems. CAS Pointer to '_Entry.ID' ? Pointer to '_Assembly.ID' ? Items in the assembly_type category describe the kind of assembly studied. These are keywords that are specific to a description of the assembly in terms of the types and number of components that make up the assembly. ? Enumerated list of brief descriptive phrases that provide a loose way of classifying the system. A system may fit more than one item in the list and all appropriate values may be used for any specific system. protein monomer Pointer to '_Entry.ID' ? Pointer to '_Assembly.ID' ? Items in the assigned_chem_shift_list category provide information about a list of reported assigned chemical shift values. ? The value assigned as the error for all 13C chemical shifts reported in the saveframe. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. 0.1 The value assigned as the error for all 15N chemical shifts reported in the saveframe. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. 0.2 The value assigned as the error for all 19F chemical shifts reported in the saveframe. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. 0.01 The value assigned as the error for all 1H chemical shifts reported in the saveframe. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. 0.01 The value assigned as the error for all 2H chemical shifts reported in the saveframe. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. 0.01 The value assigned as the error for all 31P chemical shifts reported in the saveframe. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. 0.1 Pointer to '_Chem_shift_reference.ID' ? Pointer to a saveframe of category chem_shift_reference. ? The name of the file submitted with this depostion that contains the quantitative data for this saveframe. ? Text describing the reported assigned chemical shifts. ? Method used to derive the estimated error in the reported chemical shifts. ? Pointer to '_Sample_condition_list.ID' ? Pointer to a saveframe of category sample_conditions. ? Category assigned to the information in the saveframe. ? A descriptive label that uniquely identifies this list of reported assigned chemical shifts. ? A set of assigned chemical shift data in a format as ASCII text. ? The name of the data format used to represent the assigned chemical shifts as ASCII text in the '.Text_data' tag. ? Pointer to '_Entry.ID' ? An integer value that uniquely identifies this saveframe of assigned chemical shifts from other saveframes of this category in an entry. ? Items in the assigned_peak_chem_shift category define the atom(s) assigned to individual peaks in the spectral peak list. ? Pointer to '_Atom.Assembly_atom_ID' ? Pointer to '_Assigned_chem_shift_list.ID' ? Pointer to '_Atom_chem_shift.ID' ? Pointer to '_Chem_comp_atom.Atom_ID' ? Pointer to '_Chem_comp.ID' ? Pointer to '_Entity_comp_index.ID' ? Text describing the reported spectral peak assignment. ? Pointer to '_Entity_assembly.ID' ? Pointer to '_Entity.ID' ? Figure of merit ? Magnetization linkage ID ? Pointer to '_Resonance.ID' ? Set ID ? The quantitative chemical shift value assigned to the peak. ? Pointer to '_Peak.ID' ? Pointer to '_Spectral_dim.ID' ? Pointer to '_Entry.ID' ? Pointer to '_Spectral_peak_list.ID' ? Items in the atom category provide atom level nomenclature and mappings for polymer and non-polymer components in the molecular assembly. ? The value of attribute Atom_id in category Atom must uniquely identify a record in the atom list. ? Pointer to '_Atom_type.ID' ? Pointer to '_Chem_comp.ID' ? Pointer to '_Entity_comp_index.ID' ? Pointer to '_Entity_assembly.ID' ? Pointer to '_Entity.ID' ? Pointer to attribute Label_asym_id' in category Atom_site. ? This data item is a pointer to '_Chem_comp_atom.Atom_id in the chem_comp_atom category. ? Standard symbol used to define the atom element type. ? Pointer to '_Chem_comp.ID' ? The group of atoms to which the atom site belongs. This data item is provided for compatibility with the original Protein Data Bank format, and only for that purpose. ? PDB insertion code. ? One-letter code used by the PDB for amino acids and nucleic acids. ? Pointer to '_Entity_poly_seq_scheme.Seq_ID' ? PDB strand/chain id. ? Pointer to '_Entity_poly_seq_scheme.Seq_ID' ? The code used to identify the atom specie(s) representing this atom type. Normally this code is the element symbol. The code may be composed of any character except an underline with the additional proviso that digits designate an oxidation state and must be followed by a + or - character. ? A value that uniquely identifies the atom from all other atoms in the molecular assembly. ? Pointer to '_Entry.ID' ? Pointer to '_Assembly.ID' ? Items in the atom_chem_shift category describe the chemical shift values assigned to specific atoms in a molecular assembly. ? Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, etc. ? Pointer to '_Atom.Assembly_atom_ID' ? Figure of merit for the assignment of the atom to the reported chemical shift value. ? Pointer to '_Chem_comp_atom.Atom_ID' ? Isotope number for the specified atom. ? The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ? 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. HB1 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. DPN 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 for Seq_ID or Comp_index_ID. -3 Pointer to '_Chem_comp.ID' ? Pointer to '_Entity_comp_index.ID' ? Pointer to '_Entity_assembly.ID' ? Pointer to '_Entity.ID' ? Where multiple chemical shift values are assigned to the same atom, the estimated percent of the molecules with the assigned chemical shift. ? Pointer to '_Resonance.ID' ? Pointer to '_Entity_poly_seq_scheme.Seq_ID' ? Assigned chemical shift value ? Estimated or measured error in the assigned chemical shift value. ? An integer value that is a unique identifier for the assigned chemical shift value value. ? Pointer to '_Entry.ID' ? Pointer to '_Assigned_chem_shift_list.ID' ? Items in the atom_nomenclature category define alternative atom nomenclature for the atoms in a chemical compound. ? Alternate atom name defined by an organization or official body. ? Pointer to '_Chem_comp_atom.Atom_ID' ? The name of the systematic atom nomenclature. ? Pointer to '_Entry.ID' ? Pointer to '_Chem_comp.ID' ? category description not available ? Pointer to '_Atom.Assembly_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. HB1 ? ? 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. DPN 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 for Seq_ID or Comp_index_ID. -3 The x atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. ? The standard uncertainty (estimated standard deviation) of '_Atom_site.Cartn_x'. ? The y atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. ? The standard uncertainty (estimated standard deviation) of '_Atom_site.Cartn_y'. ? The z atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. ? The standard uncertainty (estimated standard deviation) of '_Atom_site.Cartn_z'. ? ? ? A value indicating the confidence in the assigned coordinate values for this atom. ? The value of '_Atom_site.Footnote_ID must match an ID specified by '_Atom_sites_footnote.ID'. ? Pointer to '_Struct_asym.ID' ? Pointer to '_Chem_comp_atom.Atom_ID' ? Pointer to '_Chem_comp.ID' ? Pointer to '_Entity_comp_index.ID' ? Pointer to '_Entity_assembly.ID' ? Pointer to '_Entity.ID' ? Pointer to '_Entity_poly_seq_scheme.Seq_ID' ? An integer value that uniquely defines the set of coordinates that represent one model for the molecular assembly. ? 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. ? ? ? ? ? Atom identifier assigned by the PDB and extracted from the PDB entry. HB1 Chemical component identifier assigned by the PDB and extracted from the PDB entry. ASN Residue sequence number assigned by the PDB and extracted from the PDB entry. 1 The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ? The value of '_Atom_site.ID' must uniquely identify a record in the atom_site list. ? Pointer to '_Entry.ID' ? Pointer to '_Conformer_family_coord_set.ID' ? category description not available ? The text of the footnote. Footnotes are used to describe an atom site or a group of atom sites in the atom_site list. ? Unique identifier for the reported footnote. ? Pointer to '_Entry.ID' ? Pointer to '_Conformer_family_coord_set.ID' ? Items in the atom_type category describe atoms from the periodic table. ? Atom atomic mass ? Atom atomic number 6 Electron configuration for the atom ? Atom isotope number 13