Data Category chem_comp

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General

Category name: chem_comp_bond
Required in PDB entries: no
Category group membership: chem_comp_group
Used in current PDB entries: Yes, in about 80.1 % of entries
Used in the Chemical Component dictionary: Yes

Category Relationship Diagrams

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Category Description

               Data items in the CHEM_COMP_BOND category record details about
               the bonds between atoms in a chemical component. Target values
               may be specified as bond orders, as a distance between the two
               atoms, or both.

Category Example

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    loop_
    _chem_comp_bond.comp_id
    _chem_comp_bond.atom_id_1
    _chem_comp_bond.atom_id_2
    _chem_comp_bond.value_order
      phe  N    CA   sing
      phe  CA   C    sing
      phe  C    O    doub
      phe  CB   CA   sing
      phe  CB   CG   sing
      phe  CG   CD1  arom
      phe  CD1  CE1  arom
      phe  CE1  CZ   arom
      phe  CZ   CE2  arom
      phe  CE2  CD2  arom
      phe  CD2  CG   arom
      val  N    CA   sing
      val  CA   C    sing
      val  C    O    doub
      val  CB   CA   sing
      val  CB   CG1  sing
      val  CB   CG2  sing

Key Data Items

Category Data Items

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