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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
3iahNAPPutative oxoacyl-(Acyl carrier protein) reductase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
3iahNAPPutative oxoacyl-(Acyl carrier protein) reductase/1.000
3gy0NAPNAD(P)-dependent oxidoreductase/0.559
4hwkNAPSepiapterin reductase1.1.1.1530.554
1cydNDPCarbonyl reductase [NADPH] 21.1.1.1840.545
3bhiNAPCarbonyl reductase [NADPH] 11.1.1.1840.545
4j7uNAPSepiapterin reductase1.1.1.1530.545
4i5eNAPAlclohol dehydrogenase/short-chain dehydrogenase/0.540
4c7kNAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.531
4j7xNAPSepiapterin reductase1.1.1.1530.526
1xseNDPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.517
3d3wNAPL-xylulose reductase1.1.1.100.516
3p19NDPPutative blue fluorescent protein/0.516
1snyNAPLD36273p/0.512
4rf2NAPNADPH dependent R-specific alcohol dehydrogenase/0.509
1ipeNDPTropinone reductase 21.1.1.2360.505
5idwNAPShort-chain dehydrogenase/reductase SDR/0.504
1pr9NAPL-xylulose reductase1.1.1.100.501
1xkqNDPUncharacterized protein/0.501
1n5dNDPCarbonyl reductase [NADPH] 1/0.500
1wntNAPL-xylulose reductase1.1.1.100.496
1oaaNAPSepiapterin reductase1.1.1.1530.495
3qwfNAP17beta-hydroxysteroid dehydrogenase/0.495
4bmsNAPAlclohol dehydrogenase/short-chain dehydrogenase/0.491
3f1kNAPUncharacterized oxidoreductase YciK10.489
4bmvNAPShort-chain dehydrogenase/0.488
2dteNAIGlucose 1-dehydrogenase related protein/0.487
4dc1NDPPutative ketoacyl reductase1.3.10.487
4fj0NAP17beta-hydroxysteroid dehydrogenase/0.485
1xg5NAPDehydrogenase/reductase SDR family member 11/0.481
3g49NAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.481
2yutNAPPutative short-chain oxidoreductase/0.480
3l77NJPShort-chain alcohol dehydrogenase/0.478
4is3NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 21.17.98.10.478
4jbiNDPAlcohol dehydrogenase (Zinc)/0.476
4z3dNDPCarbonyl reductase [NADPH] 11.1.1.1840.473
2wdzNADGalactitol dehydrogenase/0.471
1vl8NAPOxidoreductase, short chain dehydrogenase/reductase family/0.469
2zatNAPDehydrogenase/reductase SDR family member 41.1.1.1840.469
2rbeNDPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.468
1g0nNDPTetrahydroxynaphthalene reductase1.1.1.2520.467
3tn7NJPShort-chain alcohol dehydrogenase/0.467
4fj2NAP17beta-hydroxysteroid dehydrogenase/0.467
4nbuNAI3-oxoacyl-(Acyl-carrier-protein) reductase/0.460
4qecNAPElxO/0.460
2hrbNAPCarbonyl reductase [NADPH] 31.1.1.1840.458
3w8eNAD3-hydroxybutyrate dehydrogenase/0.458
2bd0NAPSepiapterin reductase/0.456
3lqfNADGalactitol dehydrogenase/0.455
4o0lNDPNADPH-dependent 3-quinuclidinone reductase/0.453
4fn4NADShort chain dehydrogenase/0.452
1edoNAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic1.1.1.1000.451
2ztmNADD(-)-3-hydroxybutyrate dehydrogenase/0.445
1e6wNAD3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.444
2wsbNADGalactitol dehydrogenase/0.444
3rkuNAPNADP-dependent 3-hydroxy acid dehydrogenase/0.443
3uceNDPDehydrogenase/0.443
2p5uNADUDP-glucose 4-epimerase/0.442
2q2vNADBeta-D-hydroxybutyrate dehydrogenase/0.441
1nffNAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase1.1.1.530.440
2ydxNAPMethionine adenosyltransferase 2 subunit beta/0.440