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 |
|---|---|---|---|
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 1.000 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.615 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.577 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.513 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.511 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.499 | |
| 3sju | NDP | Keto reductase | / | 0.497 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.495 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.493 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.492 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.492 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.489 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.488 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.484 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.484 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.481 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.478 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.477 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.476 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.472 | |
| 4kwh | NAP | Reductase homolog | / | 0.461 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.460 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.460 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.460 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.458 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.457 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.454 | |
| 4twr | NAD | NAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase | / | 0.453 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.453 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.452 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.451 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.451 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.450 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.450 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.449 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.448 | |
| 4qec | NAP | ElxO | / | 0.448 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.447 | |
| 1iy8 | NAD | Levodione reductase | / | 0.444 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1dyi | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.441 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 |