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
3a1n	NAD	NDP-sugar epimerase

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
3a1n	NAD	NDP-sugar epimerase	/	1.000
3a4v	NAD	NDP-sugar epimerase	/	0.659
3a9w	NAD	NDP-sugar epimerase	/	0.554
3ajr	NAD	NDP-sugar epimerase	/	0.522
4yr9	NAD	L-threonine 3-dehydrogenase, mitochondrial	1.1.1.103	0.494
5lc1	NAD	L-threonine 3-dehydrogenase	/	0.455
2p5u	NAD	UDP-glucose 4-epimerase	/	0.454
2wsb	NAD	Galactitol dehydrogenase	/	0.453
2yy7	NAD	L-threonine dehydrogenase	/	0.450
1cyd	NDP	Carbonyl reductase [NADPH] 2	1.1.1.184	0.449
1wnt	NAP	L-xylulose reductase	1.1.1.10	0.447
3wmx	NAD	NAD dependent epimerase/dehydratase	/	0.447
4nbu	NAI	3-oxoacyl-(Acyl-carrier-protein) reductase	/	0.440