PDBx/mmCIF
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Data Category pdbx_validate_symm_contact

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General

Category name
pdbx_validate_symm_contact
Required in PDB entries
no
Category group membership
pdbx_group  validate_group
Used in current PDB entries
Yes, in about 18.0 % of entries

Category Relationship Diagrams

70
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70
View abbreviated category relationship diagram including only those categories used in current PDB entries.

Category Description 

    Data items in the PDBX_VALIDATE_SYMM_CONTACT category list the
    atoms within the entry that are in close contact with regard
    the distances expected from either covalent bonding or closest
    approach by van der Waals contacts. Contacts with
    for symmetry related contacts are considered.
    For those contacts not involving hydrogen a limit of
    2.2 Angstroms is used. For contacts involving a hydrogen atom 
    a cutoff of 1.6Angstrom is used.

Category Example

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loop_
_pdbx_validate_symm_contact.id
_pdbx_validate_symm_contact.PDB_model_num
_pdbx_validate_symm_contact.auth_atom_id_1
_pdbx_validate_symm_contact.auth_asym_id_1
_pdbx_validate_symm_contact.auth_comp_id_1
_pdbx_validate_symm_contact.auth_seq_id_1
_pdbx_validate_symm_contact.PDB_ins_code_1
_pdbx_validate_symm_contact.label_alt_id_1
_pdbx_validate_symm_contact.site_symmetry_1
_pdbx_validate_symm_contact.auth_atom_id_2
_pdbx_validate_symm_contact.auth_asym_id_2
_pdbx_validate_symm_contact.auth_comp_id_2
_pdbx_validate_symm_contact.auth_seq_id_2
_pdbx_validate_symm_contact.PDB_ins_code_2
_pdbx_validate_symm_contact.label_alt_id_2
_pdbx_validate_symm_contact.site_symmetry_2
_pdbx_validate_symm_contact.dist
  1     1   O    .  HOH     70  .  .    1555   O    .  HOH     70  .  .    7555       2.05

Key Data Items

Category Data Items

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