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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
1s1pNAPAldo-keto reductase family 1 member C3

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
1s1pNAPAldo-keto reductase family 1 member C3/1.000
4dz5NAPAldo-keto reductase family 1 member C3/0.598
2fvlNAPAldo-keto reductase family 1 member C41.1.1.2250.590
4jtqNAPAldo-keto reductase family 1 member C2/0.527
2hdjNDPAldo-keto reductase family 1 member C2/0.521
3buvNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.521
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.519
4xo7NAPAldo-keto reductase family 1 member C2/0.519
3h7rNAPAldo-keto reductase family 4 member C8/0.515
3uzwNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.504
4jq3NAPAldo-keto reductase family 1 member C2/0.495
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.490
3caqNDP3-oxo-5-beta-steroid 4-dehydrogenase/0.486
2hejNDPAldo-keto reductase family 1 member C211.1.10.483
2p5nNDPAldo-keto reductase family 1 member C211.1.10.474
3bv7NAP3-oxo-5-beta-steroid 4-dehydrogenase/0.469
3wczNAPAldo-keto reductase AKR2E4/0.464
1ah4NAPAldose reductase1.1.1.210.462
4ijrNDPD-arabinose dehydrogenase [NAD(P)+] heavy chain1.1.1.1170.459
2acqNAPAldose reductase1.1.1.210.454
3dopNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.454
4pmjNAPPutative oxidoreductase/0.450
2j8tNAPAldose reductase1.1.1.210.448
3h7uNAPNADPH-dependent aldo-keto reductase, chloroplastic/0.445
1x98NAPAldose reductase1.1.1.210.440