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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
2pfhNDPAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2pfhNDPAldose reductase1.1.1.211.000
2pf8NDPAldose reductase1.1.1.210.645
2pevNDPAldose reductase1.1.1.210.635
2acqNAPAldose reductase1.1.1.210.596
2iq0NAPAldose reductase1.1.1.210.588
1x96NAPAldose reductase1.1.1.210.571
1z8aNAPAldose reductase1.1.1.210.565
2j8tNAPAldose reductase1.1.1.210.560
3v36NAPAldose reductase1.1.1.210.560
1az2NAPAldose reductase1.1.1.210.558
1x98NAPAldose reductase1.1.1.210.557
3q65NAPAldose reductase1.1.1.210.554
3q67NAPAldose reductase1.1.1.210.554
1adsNAPAldose reductase1.1.1.210.550
2acsNAPAldose reductase1.1.1.210.534
1ah4NAPAldose reductase1.1.1.210.522
2acuNAPAldose reductase1.1.1.210.513
3qkzNAPAldose reductase-related protein 11.1.1.210.497
1c9wNAPAldose reductase-related protein 2/0.494
3o3rNAPAldose reductase-related protein 11.1.1.210.490
3h7rNAPAldo-keto reductase family 4 member C8/0.480
3h7uNAPNADPH-dependent aldo-keto reductase, chloroplastic/0.480
4g5dNDPProstaglandin F synthase1.1.1.1880.473
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.457
1s1rNAPAldo-keto reductase family 1 member C3/0.452
2hdjNDPAldo-keto reductase family 1 member C2/0.451
4xo7NAPAldo-keto reductase family 1 member C2/0.451
1k8cNAPNAD(P)H-dependent D-xylose reductase1.1.1.3070.446
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.446