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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
2wdzNADGalactitol dehydrogenase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2wdzNADGalactitol dehydrogenase/1.000
2wsbNADGalactitol dehydrogenase/0.607
3lqfNADGalactitol dehydrogenase/0.531
5jlaNADPutative short-chain dehydrogenase/reductase/0.529
1u7tTDT3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.505
1w4zNAPPutative ketoacyl reductase1.3.10.492
1e3wNAD3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.488
4nbuNAI3-oxoacyl-(Acyl-carrier-protein) reductase/0.486
4dc1NDPPutative ketoacyl reductase1.3.10.482
2dknNAI3-alpha-hydroxysteroid dehydrogenase/0.476
1wntNAPL-xylulose reductase1.1.1.100.474
1x7gNAPPutative ketoacyl reductase1.3.10.474
3uxyNADShort-chain dehydrogenase/reductase SDR/0.472
3sjuNDPKeto reductase/0.468
3sx2NADUncharacterized protein/0.464
3toxNAPPutative oxidoreductase/0.459
1rwbNADGlucose 1-dehydrogenase1.1.1.470.458
1e6wNAD3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.455
1snyNAPLD36273p/0.454
4is3NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 21.17.98.10.454
3qrwNDPPutative ketoacyl reductase1.3.10.452
1geeNADGlucose 1-dehydrogenase1.1.1.470.446
3bhiNAPCarbonyl reductase [NADPH] 11.1.1.1840.446
1iy8NADLevodione reductase/0.445
1gegNADDiacetyl reductase [(S)-acetoin forming]1.1.1.3040.443
3s55NADPutative short-chain dehydrogenase/reductase/0.442
1pr9NAPL-xylulose reductase1.1.1.100.441
4z3dNDPCarbonyl reductase [NADPH] 11.1.1.1840.441