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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
1ae1NAPTropinone reductase 1

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
1ae1NAPTropinone reductase 1/1.000
1ipeNDPTropinone reductase 21.1.1.2360.509
1snyNAPLD36273p/0.497
4j7xNAPSepiapterin reductase1.1.1.1530.497
3bhiNAPCarbonyl reductase [NADPH] 11.1.1.1840.493
4j7uNAPSepiapterin reductase1.1.1.1530.483
1xseNDPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.482
4dc1NDPPutative ketoacyl reductase1.3.10.481
1x7gNAPPutative ketoacyl reductase1.3.10.480
3p19NDPPutative blue fluorescent protein/0.479
3sjuNDPKeto reductase/0.475
1x7hNDPPutative ketoacyl reductase1.3.10.474
1xg5NAPDehydrogenase/reductase SDR family member 11/0.474
4bmsNAPAlclohol dehydrogenase/short-chain dehydrogenase/0.474
3qrwNDPPutative ketoacyl reductase1.3.10.473
3o4rNAPDehydrogenase/reductase SDR family member 41.1.1.1840.472
4i5eNAPAlclohol dehydrogenase/short-chain dehydrogenase/0.471
4z3dNDPCarbonyl reductase [NADPH] 11.1.1.1840.470
4hwkNAPSepiapterin reductase1.1.1.1530.465
1vl8NAPOxidoreductase, short chain dehydrogenase/reductase family/0.464
1w4zNAPPutative ketoacyl reductase1.3.10.464
5jlaNADPutative short-chain dehydrogenase/reductase/0.463
4qedNAPElxO/0.461
3l77NJPShort-chain alcohol dehydrogenase/0.457
5idwNAPShort-chain dehydrogenase/reductase SDR/0.457
4c7kNAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.454
4rf2NAPNADPH dependent R-specific alcohol dehydrogenase/0.454
1cydNDPCarbonyl reductase [NADPH] 21.1.1.1840.450
2jahNDPClavaldehyde dehydrogenase/0.450
1xkqNDPUncharacterized protein/0.449
3g49NAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.448
4bmvNAPShort-chain dehydrogenase/0.448
2rbeNDPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.446
3toxNAPPutative oxidoreductase/0.446
1n5dNDPCarbonyl reductase [NADPH] 1/0.444
3iahNAPPutative oxoacyl-(Acyl carrier protein) reductase/0.444
2bd0NAPSepiapterin reductase/0.442
1pr9NAPL-xylulose reductase1.1.1.100.441