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
4wb9	NAI	Retinal dehydrogenase 1	1.2.1.36

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4wb9	NAI	Retinal dehydrogenase 1	1.2.1.36	1.000
4pz2	NAD	Aldehyde dehydrogenase 2-6	/	0.513
1bxs	NAD	Retinal dehydrogenase 1	1.2.1.36	0.506
4v37	NAD	Betaine aldehyde dehydrogenase, chloroplastic	1.2.1.8	0.493
2onm	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.488
3n82	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.484
2onp	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.480
4fqf	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.478
2bhp	NAD	1-pyrroline-5-carboxylate dehydrogenase	/	0.476
4x4l	NAI	Retinal dehydrogenase 1	1.2.1.36	0.475
1nzx	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.473
1nzw	NAI	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.461
1o01	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.461
1o04	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.455
1o00	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.447
4fr8	NAD	Aldehyde dehydrogenase, mitochondrial	1.2.1.3	0.445
4pt0	NAD	Aldehyde dehydrogenase	/	0.444