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
2wbg	LGS	Beta-glucosidase A	3.2.1.21

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
2wbg	LGS	Beta-glucosidase A	3.2.1.21	1.000
2j7d	GI1	Beta-glucosidase A	3.2.1.21	0.559
2vrj	NCW	Beta-glucosidase A	3.2.1.21	0.555
2j7c	IDE	Beta-glucosidase A	3.2.1.21	0.552
3rno	NAP	NAD(P)H-hydrate epimerase	5.1.99.6	0.482
2xug	TZ4	Acetylcholinesterase	3.1.1.7	0.478
3gjw	GJW	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.465
1c3x	8IG	Purine nucleoside phosphorylase	2.4.2.1	0.460
1q84	TZ4	Acetylcholinesterase	3.1.1.7	0.460
4n3r	2GU	Tankyrase-1	2.4.2.30	0.460
4ey6	GNT	Acetylcholinesterase	3.1.1.7	0.452
5kwv	ANP	Pantothenate synthetase	/	0.448
2b4d	COA	Diamine acetyltransferase 1	/	0.443
3fap	ARD	Peptidyl-prolyl cis-trans isomerase FKBP1A	5.2.1.8	0.443
3fap	ARD	Serine/threonine-protein kinase mTOR	2.7.11.1	0.443
4a86	2AN	Major pollen allergen Bet v 1-A	/	0.443
4tvj	09L	Poly [ADP-ribose] polymerase 2	2.4.2.30	0.443
2i65	NAD	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1	3.2.2.6	0.441
4eil	UMP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.440