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
4qpm	ADP	Mitotic checkpoint serine/threonine-protein kinase BUB1	2.7.11.1

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4qpm	ADP	Mitotic checkpoint serine/threonine-protein kinase BUB1	2.7.11.1	1.000
4r8q	ADP	Mitotic checkpoint serine/threonine-protein kinase BUB1	2.7.11.1	0.556
5dmz	ADP	Mitotic checkpoint serine/threonine-protein kinase BUB1	2.7.11.1	0.513
5dnr	ATP	Aurora kinase A	2.7.11.1	0.451
3t8o	ATP	Rhodopsin kinase	/	0.450
5dos	ATP	Aurora kinase A	2.7.11.1	0.450
3zc6	VFC	Tyrosine-protein kinase JAK3	2.7.10.2	0.448
3c4w	ATP	Rhodopsin kinase	/	0.442
3f69	XDR	Serine/threonine-protein kinase PknB	2.7.11.1	0.440