Formula mass of the chemical component.
Examples: null, null
The value of _chem_comp.id must uniquely identify each item in the CHEM_COMP list.
For protein polymer entities, this is the three-letter code for the amino acid.
For nucleic acid polymer entities, this is the one-letter code for the base.
Examples: ALA, VAL, DG, C
The identifier for the parent component of the nonstandard component. May be be a comma separated list if this component is derived from multiple components.
Items in this indirectly point to _chem_comp.id in the CHEM_COMP category.
The full name of the component.
Examples: alanine, valine, adenine, cytosine
For standard polymer components, the one-letter code for the component. For non-standard polymer components, the one-letter code for parent component if this exists; otherwise, the one-letter code should be given as 'X'.
Components that derived from multiple parents components are described by a sequence of one-letter-codes.
Examples: A, B, R, N, D, C, Q, E, Z, G, H, I, L, K, M, F, P, S, T, W, Y, V, U, O, X
A preliminary classification used by PDB to indicate that the chemistry of this component while described as clearly as possible is still ambiguous. Software tools may not be able to process this component definition.
The net integer charge assigned to this component. This is the formal charge assignment normally found in chemical diagrams.
Date component was added to database.
Date component was last modified.
This data item identifies the deposition site that processed this chemical component defintion.
Allowable values: EBI, PDBC, PDBE, PDBJ, RCSB
This data item holds the current release status for the component.
Allowable values: DEL, HOLD, HPUB, OBS, REF_ONLY, REL
Identifies the _chem_comp.id of the component that has replaced this component.
Examples: q11, tvx
Identifies the _chem_comp.id's of the components which have been replaced by this component. Multiple id codes should be separated by commas.
Examples: q11, tvx,atv
The list of subcomponents contained in this component.
Examples: TSM DPH HIS CHF EMR
For standard polymer components, the common three-letter code for the component. Non-standard polymer components and non-polymer components are also assigned three-letter-codes.
For ambiguous polymer components three-letter code should be given as 'UNK'. Ambiguous ions are assigned the code 'UNX'. Ambiguous non-polymer components are assigned the code 'UNL'.
Examples: ALA, ARG, ASN, ASP, ASX, CYS, GLN, GLU, GLY, GLX, HIS, ILE, LEU, LYS, MET, PHE, PRO, SER, THR, TRP, TYR, VAL, 1MA, 5MC, OMC, 1MG, 2MG, M2G, 7MG, 0MG, H2U, 5MU, PSU, ACE, FOR, HOH, UNK
For standard polymer components, the type of the monomer. Note that monomers that will form polymers are of three types: linking monomers, monomers with some type of N-terminal (or 5') cap and monomers with some type of C-terminal (or 3') cap.
Allowable values: D-beta-peptide, C-gamma linking, D-gamma-peptide, C-delta linking, D-peptide COOH carboxy terminus, D-peptide NH3 amino terminus, D-peptide linking, D-saccharide, D-saccharide, alpha linking, D-saccharide, beta linking, DNA OH 3 prime terminus, DNA OH 5 prime terminus, DNA linking, L-DNA linking, L-RNA linking, L-beta-peptide, C-gamma linking, L-gamma-peptide, C-delta linking, L-peptide COOH carboxy terminus, L-peptide NH3 amino terminus, L-peptide linking, L-saccharide, L-saccharide, alpha linking, L-saccharide, beta linking, RNA OH 3 prime terminus, RNA OH 5 prime terminus, RNA linking, non-polymer, other, peptide linking, peptide-like, saccharide
Generated using TypeDoc
The formula for the chemical component. Formulae are written according to the following rules:
(1) Only recognized element symbols may be used.
(2) Each element symbol is followed by a 'count' number. A count of '1' may be omitted.
(3) A space or parenthesis must separate each cluster of (element symbol + count), but in general parentheses are not used.
(4) The order of elements depends on whether carbon is present or not. If carbon is present, the order should be: C, then H, then the other elements in alphabetical order of their symbol. If carbon is not present, the elements are listed purely in alphabetic order of their symbol. This is the 'Hill' system used by Chemical Abstracts.
Examples: C18 H19 N7 O8 S