CL.7

PYRUVATE DEHYDROGENASE E1 COMPONENT

PDB

The ligand-free form

2g67_AB [Alignment: 1 2]

The ligand-bound form

2g25_AB[Alignment: 1 2]

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the structural change


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Function

EC*1

CSA distance*2

1.2.4.1

2.7

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

Ligand

PDB*1

Full name

2xMG,2xTDK

2x(MAGNESIUM ION),2x(2-PHOSPHONOLACTYLTHIAMIN DIPHOSPHATE)

*1 Ligand name designated by the PDB identifiers.

Segments

Component No.

Fixed*1

Moving*1

Motion type

Ligand binding

Coupled motion type

1

D1(56A-303A,310A-326A,354A-399A,415A-526A,535A-540A,559A-886A,56B-398B,417B-526B,535B-540B,559B-886B)

L2(541A-558A)

Local

Independent

2

D1

L3(399B-416B)

Local

Coupled

Closure

3

D1

L4(400A-414A)

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

Yes

+17

2

Yes

+13

3

Yes

+13

*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.

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