CL.2

GTPASE/ATPASE

PDB

The ligand-free form

2qm8_AB [Alignment: 1 2]

The ligand-bound form

2qm7_AB[Alignment: 1 2]

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Animations of

the structural change


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Ligand

PDB*1

Full name

2xGDP

2x(GUANOSINE-5'-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(5A-97A,108A-179A,188A-202A,208A-327A,6B-30B,34B-97B,108B-155B,161B-203B,210B-329B)

L2(98A-107A)

Local

Independent

2

D1

L3(98B-107B)

Local

Independent

3

D1

L4(180A-187A)

Local

Independent

4

D1

L5(204B-209B)

Local

Coupled

Closure

5

D1

L6(203A-207A)

Local

Coupled

Opening

6

D1

L7(156B-160B)

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

Yes

-9

2

Yes

-10

3

Yes

+6

4

Yes

+6

5

6.3

+1

6

5.5

*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

2

3

4

5

0.52

6

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

Crystal environment

Component No.

Open state*1

Crystal packing*2

1

2

3

4

5

6

Free

Coupled

*1 Distinction between the open state and the closed state required for examining the influence of the crystal environment.
*2 Crystal packing: Whether the change in the crystal environment is coupled with the structural change.

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