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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
4l4xNDPAmphI

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
4l4xNDPAmphI/1.000
4hxyNDPPlm1/0.497
3nugNADPyridoxal 4-dehydrogenase1.1.1.1070.486
1iolESTEstradiol 17-beta-dehydrogenase 11.1.1.620.474
2rbeNDPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.465
4kwhNAPReductase homolog/0.461
4c7kNAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.460
4q71FADBifunctional protein PutA/0.460
2gjlFMNNitronate monooxygenase1.13.12.160.459
4is3NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 21.17.98.10.457
1e6wNAD3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.453
1rneC60Renin3.4.23.150.453
1jtvTESEstradiol 17-beta-dehydrogenase 11.1.1.620.452
3ndrNADPyridoxal 4-dehydrogenase1.1.1.1070.452
2dknNAI3-alpha-hydroxysteroid dehydrogenase/0.451
1lbcCYZGlutamate receptor 2/0.449
3hl0NADMaleylacetate reductase/0.449
1edoNAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic1.1.1.1000.447
2o23NAD3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.446
4i5eNAPAlclohol dehydrogenase/short-chain dehydrogenase/0.446
5a3bAPRSIR2 family protein/0.446
2ifaFMNUncharacterized protein/0.445
4qi4FADCellobiose dehydrogenase/0.445
1u7tNAD3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.443
3kpkFADSulfide-quinone reductase/0.443
4gh5NADShort-chain dehydrogenase/reductase SDR/0.443
1h66FADNAD(P)H dehydrogenase [quinone] 11.6.5.20.442
2zb3NDPProstaglandin reductase 21.3.1.480.441