sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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
3nt4	NAI	Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase	1.1.1.18

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
3nt4	NAI	Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase	1.1.1.18	1.000
4l8v	NAP	Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase	1.1.1.18	0.536
3nt2	NAD	Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase	1.1.1.18	0.531
3nt5	NAI	Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase	1.1.1.18	0.504
3ntq	NAD	Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase	1.1.1.18	0.488
3ec7	NAD	Inositol 2-dehydrogenase	/	0.468