Data Category struct_site

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
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 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

 
    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