CD.11

PHOSPHOENOLPYRUVATE CARBOXYKINASE

PDB

The ligand-free form

1oen_A [Alignment: 1]

The ligand-bound form

2olr_A[Alignment: 1]

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the structural change



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An image of the result of

the linear response theory


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Function

EC*1

CSA distance*2

4.1.1.49

2.6

*1 Enzyme commission number.
*2 The distance between the active site annotated in CSA23 and the ligand-binding sites.

Ligand

PDB*1

Full name

ATP,MG

ADENOSINE-5'-TRIPHOSPHATE,MAGNESIUM 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(8A-237A,254A-255A,264A-284A,286A-301A,303A-316A,319A-356A,408A-434A)

D2(238A-239A,241A-251A,253A-253A,256A-261A,263A-263A,357A-389A,392A-392A,401A-407A,435A-451A,454A-491A,493A-500A,506A-537A)

Domain

Coupled

Closure

2

D2

L3(392A-400A)

Local

Independent

3

D2

L4(444A-449A)

Local

Coupled

Closure

*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

2.6

2

Yes

+8

3

5.1

+1

*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

0.92

2

3

0.01

*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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