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
2pdi	ZST	Aldose reductase	1.1.1.21

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
2pdi	ZST	Aldose reductase	1.1.1.21	1.000
2fz8	ZST	Aldose reductase	1.1.1.21	0.645
2pdm	ZST	Aldose reductase	1.1.1.21	0.610
2hvn	ZST	Aldose reductase	1.1.1.21	0.572
2hvo	ZST	Aldose reductase	1.1.1.21	0.559
1pwm	FID	Aldose reductase	1.1.1.21	0.533
2pdg	47D	Aldose reductase	1.1.1.21	0.526
2pdf	ZST	Aldose reductase	1.1.1.21	0.487
2pdy	FID	Aldose reductase	1.1.1.21	0.460
2pdj	393	Aldose reductase	1.1.1.21	0.455
1zua	TOL	Aldo-keto reductase family 1 member B10	1.1.1	0.449
1us0	LDT	Aldose reductase	1.1.1.21	0.447
2pdu	393	Aldose reductase	1.1.1.21	0.441