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
1toi	HCI	Aspartate aminotransferase	2.6.1.1

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
1toi	HCI	Aspartate aminotransferase	2.6.1.1	1.000
1toj	HCI	Aspartate aminotransferase	2.6.1.1	0.636
4dbc	3QP	Aspartate aminotransferase	2.6.1.1	0.568
1cq8	PY6	Aspartate aminotransferase	2.6.1.1	0.542
1cq7	PY5	Aspartate aminotransferase	2.6.1.1	0.530
1akc	PPE	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.514
3qpg	3QP	Aspartate aminotransferase	2.6.1.1	0.510
1akb	PPD	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.504
1ivr	CBA	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.501
1maq	PGU	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.499
1cq6	PY4	Aspartate aminotransferase	2.6.1.1	0.478
1map	KET	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.456