CL.34

TRICHOTHECENE 3-O-ACETYLTRANSFERASE

PDB

The ligand-free form

2rkt_A [Alignment: 1]

The ligand-bound form

2rkv_A[Alignment: 1]

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Ligand

PDB*1

Full name

COA,MPO,ZBA

COENZYME A,3[N-MORPHOLINO]PROPANE SULFONIC ACID,12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diaceate-8-isovalerate

*1 Ligand name designated by the PDB identifiers.

Segments

Component No.

Fixed*1

Moving*1

Motion type

Ligand binding

Coupled motion type

1

D1(4A-12A,19A-213A,219A-219A,227A-236A,260A-417A,422A-449A)

L3(13A-18A)

Local

Coupled

Closure

2

D2(237A-252A,258A-259A,418A-421A)

L4(253A-257A)

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

+3

2

Yes

+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.

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