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 |
|---|---|---|---|
| 4yai | NAI | C alpha-dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4yai | NAI | C alpha-dehydrogenase | / | 1.000 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.897 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.513 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.507 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.489 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.489 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.488 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.488 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.487 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.484 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.482 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.479 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.478 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.477 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.477 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.476 | |
| 4qec | NAP | ElxO | / | 0.474 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.472 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.472 | |
| 3sju | NDP | Keto reductase | / | 0.471 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.471 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.470 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.470 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.467 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.467 | |
| 1iy8 | NAD | Levodione reductase | / | 0.467 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.467 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.467 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.463 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.462 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.461 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.461 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.460 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.460 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.459 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.458 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.457 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.457 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.457 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.456 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.455 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.455 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.454 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.454 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.453 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.453 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.452 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.451 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.451 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.451 | |
| 1sny | NAP | LD36273p | / | 0.450 | |
| 1nai | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.449 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.449 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.448 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.448 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.447 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.446 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.446 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.445 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.445 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.444 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.444 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.444 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.444 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.443 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.443 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.443 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.441 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.441 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.440 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.440 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.440 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.440 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.440 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.440 |