Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category ATOM_SITES_FOOTNOTE

Name:
'atom_sites_footnote'

Description:

   Data items in the ATOM_SITES_FOOTNOTE category record detailed
   comments about an atom site or a group of atom sites.

Example:

Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP.
 
    loop_
    _atom_sites_footnote.id
    _atom_sites_footnote.text
      1
    ; The inhibitor binds to the enzyme in two alternative
      orientations. The two orientations have been assigned
      alternative IDs *1* and *2*.
    ;
      2
    ; Side chains of these residues adopt alternative
      orientations that correlate with the alternative
      orientations of the inhibitor.
      Side chains with alternative ID *1* and occupancy 0.58
      correlate with inhibitor orientation *1*.
      Side chains with alternative ID *2* and occupancy 0.42
      correlate with inhibitor orientation *2*.
    ;
      3
    ; The positions of these water molecules correlate with
      the alternative orientations of the inhibitor.
      Water molecules with alternative ID *1* and occupancy 0.58
      correlate with inhibitor orientation *1*.
      Water molecules with alternative ID *2* and occupancy 0.42
      correlate with inhibitor orientation *2*.
    ;
      4
    ; Side chains of these residues adopt alternative
      orientations that do not correlate with the alternative
      orientation of the inhibitor.
    ;
      5
    ; The positions of these water molecules correlate with
      alternative orientations of amino-acid side chains that
      do not correlate with alternative orientations of the
      inhibitor.
    ;



Category groups:
    inclusive_group
    atom_group
Category key:
    _atom_sites_footnote.id

Mandatory category: no