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
2pdm	ZST	Aldose reductase	1.1.1.21

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
2pdm	ZST	Aldose reductase	1.1.1.21	1.000
2fz8	ZST	Aldose reductase	1.1.1.21	0.647
2pdi	ZST	Aldose reductase	1.1.1.21	0.568
2hvn	ZST	Aldose reductase	1.1.1.21	0.567
1t40	ID5	Aldose reductase	1.1.1.21	0.526
2iki	388	Aldose reductase	1.1.1.21	0.519
2pdg	47D	Aldose reductase	1.1.1.21	0.519
1pwm	FID	Aldose reductase	1.1.1.21	0.492
2pdf	ZST	Aldose reductase	1.1.1.21	0.482
1t41	ID5	Aldose reductase	1.1.1.21	0.451
2pdx	ZST	Aldose reductase	1.1.1.21	0.449
3m64	393	Aldose reductase	1.1.1.21	0.448
2hvo	ZST	Aldose reductase	1.1.1.21	0.447
1zua	TOL	Aldo-keto reductase family 1 member B10	1.1.1	0.446
3s3g	TLT	Aldose reductase	1.1.1.21	0.441