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 |
|---|---|---|---|
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 1.000 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.642 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.505 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.501 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.492 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.492 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.483 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.475 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.472 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.470 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.468 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.465 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.463 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.460 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.460 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.459 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.459 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.458 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.457 | |
| 3sju | NDP | Keto reductase | / | 0.455 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.454 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.452 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.452 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.452 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.450 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.446 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.444 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.441 |