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Category atom_sites_alt_ens

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 Examples




Example 1:

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




    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 Category Items

• _atom_sites_alt_ens.id



Items in Category atom_sites_alt_ens

Item Name	Mandatory Code
_atom_sites_alt_ens.details	no
_atom_sites_alt_ens.id	yes

 

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