Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category STRUCT_SITE

Name:
'struct_site'

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).

Example:

Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. 
 
    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)
    ;


Category groups:
    inclusive_group
    struct_group
Category key:
    _struct_site.id

Mandatory category: no


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.