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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
2fvlNAPAldo-keto reductase family 1 member C41.1.1.225

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2fvlNAPAldo-keto reductase family 1 member C41.1.1.2251.000
3uzwNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.542
1s1rNAPAldo-keto reductase family 1 member C3/0.537
4dz5NAPAldo-keto reductase family 1 member C3/0.535
4jtqNAPAldo-keto reductase family 1 member C2/0.530
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.516
3buvNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.516
4xo7NAPAldo-keto reductase family 1 member C2/0.499
3caqNDP3-oxo-5-beta-steroid 4-dehydrogenase/0.497
2hejNDPAldo-keto reductase family 1 member C211.1.10.496
3h7rNAPAldo-keto reductase family 4 member C8/0.487
1s1pNAPAldo-keto reductase family 1 member C3/0.484
2p5nNDPAldo-keto reductase family 1 member C211.1.10.480
3bv7NAP3-oxo-5-beta-steroid 4-dehydrogenase/0.478
4jq3NAPAldo-keto reductase family 1 member C2/0.473
4l1xNAPAldo-keto reductase family 1 member C2/0.470
3wczNAPAldo-keto reductase AKR2E4/0.463
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.460
2hdjNDPAldo-keto reductase family 1 member C2/0.457
3ln3NADAldo-keto reductase family 1 member C13/0.444
4ijrNDPD-arabinose dehydrogenase [NAD(P)+] heavy chain1.1.1.1170.440