PDBx/mmCIF
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Data Category struct_site_gen

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General

Category name
struct_site_gen
Required in PDB entries
no
Category group membership
struct_group
Used in current PDB entries
Yes, in about 54.4 % of entries

Category Relationship Diagrams

70
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70
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Category Description 

               Data items in the STRUCT_SITE_GEN category record details about
               the generation of portions of the structure that contribute to
               structurally relevant sites.

Additional Descriptive Information for Depositors 

 Ligand binding sites. Ligand binding site records are used to annotate the binding environment of any non-polymeric heterogen.  SITE records will define any interacting residues, based on a distance cutoff from a ligand. They can be generated by the author and/or by software and an evidence code (_struct_site.pdbx_evidence_code)  has been added to identify whether the SITE records is software calculated or author provided.

Category Example

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    loop_
    _struct_site_gen.id
    _struct_site_gen.site_id
    _struct_site_gen.label_comp_id
    _struct_site_gen.label_asym_id
    _struct_site_gen.label_seq_id
    _struct_site_gen.symmetry
    _struct_site_gen.details
      1  1  VAL  A   32  1_555  .
      2  1  ILE  A   47  1_555  .
      3  1  VAL  A   82  1_555  .
      4  1  ILE  A   84  1_555  .
      5  2  VAL  B  232  1_555  .
      6  2  ILE  B  247  1_555  .
      7  2  VAL  B  282  1_555  .
      8  2  ILE  B  284  1_555  .

Key Data Items

Category Data Items

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