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
4e5k	NAD	Phosphonate dehydrogenase	1.20.1.1

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4e5k	NAD	Phosphonate dehydrogenase	1.20.1.1	1.000
4e5n	NAD	Phosphonate dehydrogenase	1.20.1.1	0.585
4nu6	NAD	Phosphonate dehydrogenase	1.20.1.1	0.555
4nu5	NAD	Phosphonate dehydrogenase	1.20.1.1	0.530
2dbq	NAP	Glyoxylate reductase	1.1.1.26	0.503
4e5p	NAD	Phosphonate dehydrogenase	1.20.1.1	0.464
4c7k	NAP	Corticosteroid 11-beta-dehydrogenase isozyme 1	1.1.1.146	0.463
4weq	NAP	NAD-dependent dehydrogenase	/	0.457
1psd	NAD	D-3-phosphoglycerate dehydrogenase	1.1.1.95	0.456
3baz	NAP	Hydroxyphenylpyruvate reductase	1.1.1.237	0.456
4e5m	NAP	Phosphonate dehydrogenase	1.20.1.1	0.454
2p9c	NAI	D-3-phosphoglycerate dehydrogenase	1.1.1.95	0.451
1ipe	NDP	Tropinone reductase 2	1.1.1.236	0.440