CD.17

PHOSPHATE ACETYLTRANSFERASE

PDB

The ligand-free form

1qzt_AB [Alignment: 1 2]

The ligand-bound form

2af3_CD[Alignment: 1 2]

View

Animations of

the structural change


Using Jmol

An image of the result of

the linear response theory


Generated by PyMOL

Function

EC*1

CSA distance*2

2.3.1.8

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

Ligand

PDB*1

Full name

3xCOA

3x(COENZYME A)

*1 Ligand name designated by the PDB identifiers.

Segments

Component No.

Fixed*1

Moving*1

Motion type

Ligand binding

Coupled motion type

1

D1(4C-328C,330C-330C,145D-297D)

D2(329C-329C,331C-333C,2D-144D,298D-330D)

Domain

Coupled

Closure

2

D1

L3(141C-147C)

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

1.9

2

3.5

+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

0.83

2

0.25

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

Link ::.