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
4nmk	NAP	Aldehyde dehydrogenase

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4nmk	NAP	Aldehyde dehydrogenase	/	1.000
4nmj	NAP	Aldehyde dehydrogenase	/	0.569
4h73	NDP	Aldehyde dehydrogenase	/	0.502
1nzx	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.470
4i1w	NAD	2-aminomuconate 6-semialdehyde dehydrogenase	/	0.470
4v37	NAD	Betaine aldehyde dehydrogenase, chloroplastic	1.2.1.8	0.469
4fqf	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.463
2bhp	NAD	1-pyrroline-5-carboxylate dehydrogenase	/	0.462
4pz2	NAD	Aldehyde dehydrogenase 2-6	/	0.450
2ehu	NAD	1-pyrroline-5-carboxylate dehydrogenase	/	0.449