sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

Distribution of Cavity similarities measured by Shaper

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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
2qfx	NDP	Isocitrate dehydrogenase [NADP], mitochondrial	1.1.1.42

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
2qfx	NDP	Isocitrate dehydrogenase [NADP], mitochondrial	1.1.1.42	1.000
1t0l	NAP	Isocitrate dehydrogenase [NADP] cytoplasmic	1.1.1.42	0.526
4l04	NAP	Isocitrate dehydrogenase [NADP] cytoplasmic	1.1.1.42	0.499
2cmv	NAP	Isocitrate dehydrogenase [NADP] cytoplasmic	1.1.1.42	0.495
3inm	NDP	Isocitrate dehydrogenase [NADP] cytoplasmic	1.1.1.42	0.492
4l03	NAP	Isocitrate dehydrogenase [NADP] cytoplasmic	1.1.1.42	0.488
4kzo	NAP	Isocitrate dehydrogenase [NADP] cytoplasmic	1.1.1.42	0.479