PDBx/mmCIF
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Data Category pdbx_validate_close_contact

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General

Category name
pdbx_validate_close_contact
Required in PDB entries
no
Category group membership
pdbx_group  validate_group
Used in current PDB entries
Yes, in about 46.8 % of entries

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.

Category Description 

    Data items in the PDBX_VALIDATE_CLOSE_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 within
    the asymmetric unit 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 1.6 angstroms is used.

Additional Descriptive Information for Depositors 

 Atoms involved in a close contact.  Format is ATOM (RESIDUE_NAME RESIDUE_NUMBER CHAIN_ID), e.g., OG (SER 195 A).

Category Example

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loop_
_pdbx_validate_close_contact.id
_pdbx_validate_close_contact.PDB_model_num
_pdbx_validate_close_contact.auth_atom_id_1
_pdbx_validate_close_contact.auth_asym_id_1
_pdbx_validate_close_contact.auth_comp_id_1
_pdbx_validate_close_contact.auth_seq_id_1
_pdbx_validate_close_contact.PDB_ins_code_1
_pdbx_validate_close_contact.label_alt_id_1
_pdbx_validate_close_contact.auth_atom_id_2
_pdbx_validate_close_contact.auth_asym_id_2
_pdbx_validate_close_contact.auth_comp_id_2
_pdbx_validate_close_contact.auth_seq_id_2
_pdbx_validate_close_contact.PDB_ins_code_2
_pdbx_validate_close_contact.label_alt_id_2
_pdbx_validate_close_contact.dist
   1     1     .  B  VAL     36  .  .       .  B  ARG    108  .  .         2.16
   2     1     .  B  ARG    108  .  .       .  B  VAL     36  .  .         2.16

Key Data Items

Category Data Items

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