CL.21

PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2

PDB

The ligand-free form

2btz_AA [Alignment: 1 2]

The ligand-bound form

2bu2_AA[Alignment: 1 2]

View

Animations of

the structural change


Using Jmol

Function

EC*1

CSA distance*2

2.7.11.2

2.6

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

Ligand

PDB*1

Full name

2xATP,2xTF1

2x(ADENOSINE-5'-TRIPHOSPHATE),2x(4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDOXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITILE)

*1 Ligand name designated by the PDB identifiers.

Segments

Component No.

Fixed*1

Moving*1

Motion type

Ligand binding

Coupled motion type

1

D1(6A-29A,36A-169A,177A-302A,320A-384A,6A-29A,36A-169A,177A-302A,320A-384A)

L2(315A-319A)

Local

Coupled

Closure

2

D1

L3(30A-35A)

Local

Coupled

Opening

*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

+2

2

Yes

-2

*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.

Link ::.