CD.23

14-3-3 PROTEIN SIGMA

PDB

The ligand-free form

1yz5_AB [Alignment: 1 2]

The ligand-bound form

1ywt_AB[Alignment: 1 2]

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the linear response theory


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Ligand

PDB*1

Full name

PEPT(MARSHYPA),CA

Peptide(MARSHYPA),CALCIUM ION

*1 Ligand name designated by the PDB identifiers.

Segments

Component No.

Fixed*1

Moving*1

Motion type

Ligand binding

Coupled motion type

1

D1(5A-24A,52A-70A,79A-87A,4B-69B,79B-144B,148B-150B,155B-161B)

D2(145B-147B,151B-154B,162B-228B)

Domain

Coupled

Closure

2

D1

L3(68B-77B)

Local

Independent

*1 The location of the fixed and moving segments indicated by the residue number assigned in the ligand-bound form. The background color of characters indicates the corresponding segment in the structure. The colored segments not described in the Table are: 1) a part of component in which the motion is small (< 1.0 A), or, 2) a part of a protomer of homodimers, for which a corresponding part of the other protomer is shown in the Table.

Displacement and disorder

Component No.

RMSD*1

Displacement*2

Disorder-order transition*3

Disorder residue*4

Helix-Coil*5

1

1.3

2

Yes

-7

*1 The root-mean-square displacement of a component of motion calculated for the domain motions.
*2 The mean displacement of a component of motion calculated for the local motions.
*3 Order-disorder transition: Whether the open form contains the disordered structure.
*4 The number of disordered residues.
*5 The number of residues exhibiting the alpha-helix to coil transition.

Linear response

Component No.

Correlation coefficient*1

1

0.72

2

*1 The correlation coefficient between the displacement vector predicted by the linear response theory and the one observed in the crystal structures.

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