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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Cavity similarities measured by Shaper
You can zoom onto the graph by using the mouse to make a selection

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
1pwmFIDAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
1pwmFIDAldose reductase1.1.1.211.000
1ef3FIDAldose reductase1.1.1.210.634
3s3gTLTAldose reductase1.1.1.210.621
2pdyFIDAldose reductase1.1.1.210.579
2pdmZSTAldose reductase1.1.1.210.577
2iqdLPAAldose reductase1.1.1.210.570
2pdiZSTAldose reductase1.1.1.210.570
2pdwFIDAldose reductase1.1.1.210.568
2is72CLAldose reductase1.1.1.210.536
2inzOHPAldose reductase1.1.1.210.521
4gabFIDAldo-keto reductase family 1 member B101.1.10.513
1az1ALRAldose reductase1.1.1.210.497
2pd9FIDAldose reductase1.1.1.210.497
2hvnZSTAldose reductase1.1.1.210.496
3u2cSUZAldose reductase1.1.1.210.484
2pdkSBIAldose reductase1.1.1.210.478
1ah0SBIAldose reductase1.1.1.210.473
2nvdITBAldose reductase1.1.1.210.457
2f2kTGGAldose reductase1.1.1.210.445
3p2vDOYAldose reductase1.1.1.210.444