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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
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.189

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1891.000
4jtqNAPAldo-keto reductase family 1 member C2/0.493
4xo7NAPAldo-keto reductase family 1 member C2/0.487
2hejNDPAldo-keto reductase family 1 member C211.1.10.470
3h7rNAPAldo-keto reductase family 4 member C8/0.468
4jq3NAPAldo-keto reductase family 1 member C2/0.455
2iq0NAPAldose reductase1.1.1.210.451
3caqNDP3-oxo-5-beta-steroid 4-dehydrogenase/0.449
4l1xNAPAldo-keto reductase family 1 member C2/0.448
1az2NAPAldose reductase1.1.1.210.447
2hdjNDPAldo-keto reductase family 1 member C2/0.446
3buvNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.446
1z8aNAPAldose reductase1.1.1.210.443
2acqNAPAldose reductase1.1.1.210.443
2j8tNAPAldose reductase1.1.1.210.443
1ah4NAPAldose reductase1.1.1.210.440