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
1wn3	HXC	Phenylacetic acid degradation protein PaaI

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
1wn3	HXC	Phenylacetic acid degradation protein PaaI	/	1.000
1iol	EST	Estradiol 17-beta-dehydrogenase 1	1.1.1.62	0.460
2zb3	NDP	Prostaglandin reductase 2	1.3.1.48	0.447
1q4u	4CA	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.446
3vyd	VYD	Renin	3.4.23.15	0.445
3te5	NAI	5'-AMP-activated protein kinase subunit gamma	/	0.444
4c7k	NAP	Corticosteroid 11-beta-dehydrogenase isozyme 1	1.1.1.146	0.444
1v35	NAI	Enoyl-ACP reductase	/	0.443
3r35	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.442
3r3f	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.441
3dhe	AND	Estradiol 17-beta-dehydrogenase 1	1.1.1.62	0.440
3mpi	FAD	Glutaryl-CoA dehydrogenase	1.3.99.32	0.440