PDBx/mmCIF
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Data Category chem_comp

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General

Category name
chem_comp
Required in PDB entries
no
Category group membership
chem_comp_group
Used in current PDB entries
Yes, in about 100.0 % of entries
Used in the Chemical Component dictionary
Yes

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories
70
View abbreviated category relationship diagram including only those categories used in current PDB entries.
70
View abbreviated category relationship diagram including only those categories used in the chemical reference dictionary.

Category Description 

               Data items in the CHEM_COMP category give details (such as
               name, mass, charge, etc.) about each of the chemical components
               from which the relevant chemical structures can be constructed.

               The related categories CHEM_COMP_ATOM, CHEM_COMP_BOND, 
               CHEM_COMP_ANGLE, etc. describe the detailed geometry of these
               chemical components.

Category Example

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     loop_
    _chem_comp.id
    _chem_comp.model_source
    _chem_comp.name
      phe  '1987 Protin/Prolsq Ideals file' phenylalanine
      val  '1987 Protin/Prolsq Ideals file' alanine
    # - - - - data truncated for brevity - - - -

Key Data Items

Category Data Items

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