PDBx/mmCIF
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Data Category struct_site

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General

Category name
struct_site
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
View abbreviated category relationship diagram including only those categories used in current PDB entries.

Category Description 

               Data items in the STRUCT_SITE category record details about
               portions of the structure that contribute to structurally
               relevant sites (e.g. active sites, substrate-binding subsites,
               metal-coordination 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.id
    _struct_site.details
     'P2 site C'
    ; residues with a contact < 3.7 \%A to an atom in the P2
      moiety of the inhibitor in the conformation with
      _struct_asym.id = C
    ;
     'P2 site D'
    ; residues with a contact < 3.7 \%A to an atom in the P1
      moiety of the inhibitor in the conformation with
      _struct_asym.id = D)
    ;

Key Data Items

Category Data Items

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