Protein Structural Change Data

ID of this data

The six digit numbers (from left to right) are, respectively, 1st: the number of components of motion for the coupled domain motion 2nd: the number for the independent domain motion 3rd: the number for the coupled local motion 4th: the number for the independent local motion 5th: the number of domains exhibiting the burying ligand motion 6th: the number of domains with ligand molecules situated on the protein surface.

Protein name

PDB ID of ligand-free form

PDB ID of ligand-bound form

Ligand name(PDB)

Enzyme commission number

The distance between the active site annotated in Catalytic Site Atlas (CSA) and the ligand-binding sites

Component Number

Type of motion

Type of ligand binding

Type of coupled motion

Whether the open form contains the disordered structure. ("Yes" or space)

The root-mean-square displacement of a component of motion calculated for the domain motions

The mean displacement of a component of motion calculated for the local motions

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

Whether the change in the crystal environment is coupled with the structural change. ("Coupled" or space)

Fixed segment

Moving segment

The number of disordered residues

The number of residues exhibiting the alpha-helix to coil transition

Distinction between the open state and the closed state required for examining the influence of the crystal environment

The number of hydrogen-bonds with ligands (observed in the proteins classified in "Buried Ligand")

The number of hydrogen-bonds with water (observed in the proteins classified in "Buried Ligand")

The number of hydrogen-bonds with proteins (observed in the proteins classified in "Buried Ligand")