Data Category chem_comp_bond
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General 
- Category name
- chem_comp_bond
- Required in PDB entries
- no
- Category group membership
- chem_comp_dictionary_group 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
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
Category Data Items
- _chem_comp_bond.atom_id_1
- _chem_comp_bond.atom_id_2
- _chem_comp_bond.comp_id
- _chem_comp_bond.pdbx_aromatic_flag
- _chem_comp_bond.pdbx_metal_coordination_flag
- _chem_comp_bond.pdbx_metal_pi_flag
- _chem_comp_bond.pdbx_ordinal
- _chem_comp_bond.pdbx_stereo_config
- _chem_comp_bond.value_dist
- _chem_comp_bond.value_dist_esd
- _chem_comp_bond.value_order