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
3qpg	3QP	Aspartate aminotransferase	2.6.1.1

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
3qpg	3QP	Aspartate aminotransferase	2.6.1.1	1.000
4dbc	3QP	Aspartate aminotransferase	2.6.1.1	0.764
1ivr	CBA	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.578
1map	KET	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.564
1maq	PGU	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.558
1toi	HCI	Aspartate aminotransferase	2.6.1.1	0.550
1cq8	PY6	Aspartate aminotransferase	2.6.1.1	0.540
1cq7	PY5	Aspartate aminotransferase	2.6.1.1	0.524
1toj	HCI	Aspartate aminotransferase	2.6.1.1	0.504
1cq6	PY4	Aspartate aminotransferase	2.6.1.1	0.496
1akc	PPE	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.489
1akb	PPD	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.468
1asc	NPL	Aspartate aminotransferase	2.6.1.1	0.467