Derived Protein Structure Information

Structure Details and Quality

 


Remember - the PDB contains information on theoretical models as well as experimental structures.

PDBsum - is a very useful resource for obtaining details of stereochemical quality as well as other information not found in the PDB. [2cpk]

The "Geometry" option from the Structure Explorer page and the associated Fold Deviation Score provide some insights.

Consider the example below, again of 2CPK:

 

fds.gif (11179 bytes) The color coding represents deviations from ideality based on the small molecule data for peptides of Engh and Huber. Blue is closest to ideality, green less so, through to red which shows extensive deviations as you will discover for yourself in the excercises that follow.