IL.1

CHOLESTEROL ESTERASE

PDB

The ligand-free form

2bce_A [Alignment: 1]

The ligand-bound form

1akn_A[Alignment: 1]

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Animations of

the structural change


Using Jmol

Function

EC*1

CSA distance*2

3.1.1.3

25.3

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

Ligand

PDB*1

Full name

NAG

N-ACETYL-D-GLUCOSAMINE

*1 Ligand name designated by the PDB identifiers.

Segments

Component No.

Fixed*1

Moving*1

Motion type

Ligand binding

Coupled motion type

1

D1(1A-66A,75A-105A,126A-275A,284A-331A,337A-370A,376A-532A)

L2(106A-125A)

Local

Independent

2

D1

L3(67A-74A)

Local

Independent

3

D1

L4(276A-283A)

Local

Independent

4

D1

L5(371A-375A)

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

+7

2

4.1

-3

3

4.5

-3

4

4.2

-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.

Crystal environment

Component No.

Open state*1

Crystal packing*2

1

Free

Coupled

2

Bound

Independent

3

Bound

Coupled

4

Free

Independent

*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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