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
1cq7	PY5	Aspartate aminotransferase	2.6.1.1

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
1cq7	PY5	Aspartate aminotransferase	2.6.1.1	1.000
1cq8	PY6	Aspartate aminotransferase	2.6.1.1	0.739
1toi	HCI	Aspartate aminotransferase	2.6.1.1	0.639
3qpg	3QP	Aspartate aminotransferase	2.6.1.1	0.594
1maq	PGU	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.572
1toj	HCI	Aspartate aminotransferase	2.6.1.1	0.557
1akb	PPD	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.554
1ivr	CBA	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.554
4dbc	3QP	Aspartate aminotransferase	2.6.1.1	0.546
1asc	NPL	Aspartate aminotransferase	2.6.1.1	0.537
1map	KET	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.533
1akc	PPE	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.527
1ahg	TYR_PLP	Aspartate aminotransferase	2.6.1.1	0.458
1cq6	PY4	Aspartate aminotransferase	2.6.1.1	0.450