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
4pt0	NAD	Aldehyde dehydrogenase

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4pt0	NAD	Aldehyde dehydrogenase	/	1.000
4pz2	NAD	Aldehyde dehydrogenase 2-6	/	0.518
2onp	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.479
4v37	NAD	Betaine aldehyde dehydrogenase, chloroplastic	1.2.1.8	0.478
2bhp	NAD	1-pyrroline-5-carboxylate dehydrogenase	/	0.471
3n82	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.470
1nzx	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.465
2onm	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.464
1o00	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.463
4fqf	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.462
2ehu	NAD	1-pyrroline-5-carboxylate dehydrogenase	/	0.448
1o01	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.444
1o02	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.440