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 |
|---|---|---|---|
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 1.000 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.563 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.538 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.508 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.505 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.485 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.482 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.475 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.473 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.472 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.470 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.470 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.470 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.468 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.466 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.464 | |
| 4qec | NAP | ElxO | / | 0.462 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.462 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.462 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.459 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.453 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.453 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.452 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.452 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.451 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.451 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.451 | |
| 1iy8 | NAD | Levodione reductase | / | 0.449 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.449 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.449 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.448 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.447 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.443 | |
| 4qed | NAP | ElxO | / | 0.443 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.441 | |
| 3sju | NDP | Keto reductase | / | 0.440 |