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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Cavity similarities measured by Shaper
You can zoom onto the graph by using the mouse to make a selection

Cavities are compared using Shaper.
For more information, please see the following publication: Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299

Reference Protein Data Bank Entry :
PDB ID HET Uniprot Name EC Number
2cmjNAPIsocitrate dehydrogenase [NADP] cytoplasmic1.1.1.42

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2cmjNAPIsocitrate dehydrogenase [NADP] cytoplasmic1.1.1.421.000
4l04NAPIsocitrate dehydrogenase [NADP] cytoplasmic1.1.1.420.542
4l06NAPIsocitrate dehydrogenase [NADP] cytoplasmic1.1.1.420.483
4l03NAPIsocitrate dehydrogenase [NADP] cytoplasmic1.1.1.420.470
4kzoNAPIsocitrate dehydrogenase [NADP] cytoplasmic1.1.1.420.464