O.5

TRANS-SIALIDASE

PDB

The ligand-free form

1ms3_A [Alignment: 1]

The ligand-bound form

1ms0_B[Alignment: 1]

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the structural change


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Function

EC*1

CSA distance*2

3.2.1.18

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

Ligand

PDB*1

Full name

DAN,LAT

2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID,BETA-LACTOSE

*1 Ligand name designated by the PDB identifiers.

Segments

Component No.

Fixed*1

Moving*1

Motion type

Ligand binding

Coupled motion type

1

D1(3B-6B,10B-11B,234B-243B,246B-251B,253B-258B,263B-272B,274B-285B,288B-289B,303B-305B,309B-311B,316B-318B,327B-328B,333B-359B,362B-362B,365B-386B,398B-399B,409B-414B,419B-421B,434B-439B,467B-467B,474B-475B,482B-487B,500B-504B,513B-514B,549B-570B,580B-585B,606B-607B,609B-621B)

D2(7B-9B,12B-14B,20B-20B,29B-39B,51B-61B,91B-91B,93B-98B,108B-112B,118B-122B,130B-135B,154B-174B,181B-209B,219B-233B,244B-245B,252B-252B,259B-262B,286B-287B,360B-361B,363B-364B)

Other/ domain-like

Coupled

*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

*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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