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 |
|---|---|---|---|
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 1.000 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.602 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.523 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.522 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.517 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.487 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.484 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.484 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.480 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.471 | |
| 3sju | NDP | Keto reductase | / | 0.470 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.469 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.468 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.466 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.463 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.459 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.459 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.453 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.452 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.452 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.450 | |
| 1iy8 | NAD | Levodione reductase | / | 0.449 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.449 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.448 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.447 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.444 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.443 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.442 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.442 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.441 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.441 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.441 |