Data Category atom_sites_alt_ens

General

Category name
atom_sites_alt_ens
Required in PDB entries
no
Category group membership
atom_group
Used in current PDB entries
No

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories

Category Description

               Data items in the ATOM_SITES_ALT_ENS category record details
               about the ensemble structure generated from atoms with various
               alternative conformation IDs.

Category Example

 
    loop_
    _atom_sites_alt_ens.id
    _atom_sites_alt_ens.details
     'Ensemble 1-A'
    ; The inhibitor binds to the enzyme in two, roughly twofold
      symmetric alternative conformations.

      This conformational ensemble includes the more populated
      conformation of the inhibitor (ID=1) and the amino-acid
      side chains and solvent structure that correlate with this
      inhibitor conformation.

      Also included are one set (ID=3) of side chains with
      alternative conformations when the conformations are not
      correlated with the inhibitor conformation.
    ;
     'Ensemble 1-B'
    ; The inhibitor binds to the enzyme in two, roughly twofold
      symmetric alternative conformations.

      This conformational ensemble includes the more populated
      conformation of the inhibitor (ID=1) and the amino-acid
      side chains and solvent structure that correlate with
      this inhibitor conformation.

      Also included are one set (ID=4) of side chains with
      alternative conformations when the conformations are not
      correlated with the inhibitor conformation.
    ;
     'Ensemble 2-A'
    ; The inhibitor binds to the enzyme in two, roughly twofold
      symmetric alternative conformations.

      This conformational ensemble includes the less populated
      conformation of the inhibitor (ID=2) and the amino-acid
      side chains and solvent structure that correlate with this
      inhibitor conformation.

      Also included are one set (ID=3) of side chains with
      alternative conformations when the conformations are not
      correlated with the inhibitor conformation.
    ;
     'Ensemble 2-B'
    ; The inhibitor binds to the enzyme in two, roughly twofold
      symmetric alternative conformations.

      This conformational ensemble includes the less populated
      conformation of the inhibitor (ID=2) and the amino-acid
      side chains and solvent structure that correlate with this
      inhibitor conformation.

      Also included are one set (ID=4) of side chains with
      alternative conformations when the conformations are not
      correlated with the inhibitor conformation.
    ;

Key Data Items