sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
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
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 1.000 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.659 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.499 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.494 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.492 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.491 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.474 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.474 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.472 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.472 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.467 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.467 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.464 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.463 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.462 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.458 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.456 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.454 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.452 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.452 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.451 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.450 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.450 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.450 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.446 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.446 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.446 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.444 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.443 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.443 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.440 |