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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
3ndrNADPyridoxal 4-dehydrogenase1.1.1.107

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
3ndrNADPyridoxal 4-dehydrogenase1.1.1.1071.000
3nugNADPyridoxal 4-dehydrogenase1.1.1.1070.682
4gh5NADShort-chain dehydrogenase/reductase SDR/0.493
4fw8NAI3-oxoacyl-(Acyl-carrier-protein) reductase/0.487
2d1yNADOxidoreductase, short-chain dehydrogenase/reductase family/0.486
2dteNAIGlucose 1-dehydrogenase related protein/0.485
2ewmNAD(S)-1-Phenylethanol dehydrogenase1.1.1.3110.483
5jlaNADPutative short-chain dehydrogenase/reductase/0.479
1e6wNAD3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.478
3ijrNADOxidoreductase, short chain dehydrogenase/reductase family/0.476
1edoNAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic1.1.1.1000.474
3o4rNAPDehydrogenase/reductase SDR family member 41.1.1.1840.474
1wntNAPL-xylulose reductase1.1.1.100.473
3wdsNADNADH-dependent quinuclidinone reductase/0.473
1geeNADGlucose 1-dehydrogenase1.1.1.470.472
4nbuNAI3-oxoacyl-(Acyl-carrier-protein) reductase/0.472
2dknNAI3-alpha-hydroxysteroid dehydrogenase/0.470
3a28NADL-2,3-butanediol dehydrogenase1.1.1.760.467
3ak4NADNADH-dependent quinuclidinone reductase/0.465
1u7tTDT3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.463
4c7kNAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.463
1g0nNDPTetrahydroxynaphthalene reductase1.1.1.2520.462
3s55NADPutative short-chain dehydrogenase/reductase/0.461
4i5eNAPAlclohol dehydrogenase/short-chain dehydrogenase/0.461
1g6kNADGlucose 1-dehydrogenase1.1.1.470.459
3d3wNAPL-xylulose reductase1.1.1.100.457
4idgNADPutative UDP-glucose 4-epimerase/0.456
1gcoNADGlucose 1-dehydrogenase1.1.1.470.454
2gdzNAD15-hydroxyprostaglandin dehydrogenase [NAD(+)]1.1.1.1410.454
5js6NAD17-beta-hydroxysteroid dehydrogenase 141.1.10.454
1ipeNDPTropinone reductase 21.1.1.2360.449
1rwbNADGlucose 1-dehydrogenase1.1.1.470.448
1e3wNAD3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.446
4j7xNAPSepiapterin reductase1.1.1.1530.444
1pr9NAPL-xylulose reductase1.1.1.100.441
1cdoNADAlcohol dehydrogenase 11.1.1.10.440
3toxNAPPutative oxidoreductase/0.440