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 |
|---|---|---|---|
| 5kcz | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 5kcz | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 1.000 | |
| 5kjf | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.909 | |
| 5kjc | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.897 | |
| 4xd2 | NAI | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.847 | |
| 5kje | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.823 | |
| 3oq6 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.808 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.750 | |
| 4ng5 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.746 | |
| 4nfh | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.722 | |
| 5kj6 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.676 | |
| 5cdg | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.655 | |
| 1het | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.654 | |
| 4dxh | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.654 | |
| 5kcp | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.653 | |
| 4nfs | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.637 | |
| 5cdt | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.632 | |
| 2ohx | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.627 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.623 | |
| 1a71 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.610 | |
| 1ht0 | NAD | Alcohol dehydrogenase 1C | 1.1.1.1 | 0.603 | |
| 2oxi | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.601 | |
| 1hld | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.600 | |
| 1heu | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.595 | |
| 2jhf | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.592 | |
| 5kj1 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.588 | |
| 1hf3 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.587 | |
| 1adb | CND | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.585 | |
| 1hsz | NAD | Alcohol dehydrogenase 1B | 1.1.1.1 | 0.584 | |
| 1adc | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.583 | |
| 1u3v | NAD | Alcohol dehydrogenase 1B | 1.1.1.1 | 0.575 | |
| 6adh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.567 | |
| 1axe | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.566 | |
| 1axg | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.566 | |
| 1ju9 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.559 | |
| 3jv7 | NAD | Secondary alcohol dehydrogenase | / | 0.558 | |
| 1agn | NAD | Alcohol dehydrogenase class 4 mu/sigma chain | 1.1.1.1 | 0.553 | |
| 2fze | APR | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.532 | |
| 4c4o | NAD | SADH | / | 0.520 | |
| 2dph | NAD | Formaldehyde dismutase | / | 0.514 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.512 | |
| 3cos | NAD | Alcohol dehydrogenase 4 | 1.1.1.1 | 0.511 | |
| 1qlh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.509 | |
| 3wle | NAD | (R)-specific carbonyl reductase | / | 0.508 | |
| 5adh | APR | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.508 | |
| 4dlb | NAD | S-(hydroxymethyl)glutathione dehydrogenase | / | 0.506 | |
| 1ma0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.505 | |
| 4cpd | NAD | Alcohol dehydrogenase | / | 0.505 | |
| 1kol | NAD | Glutathione-independent formaldehyde dehydrogenase | / | 0.504 | |
| 1h2b | NAJ | NAD-dependent alcohol dehydrogenase | / | 0.497 | |
| 1e3l | NAD | Alcohol dehydrogenase 4 | 1.1.1.1 | 0.490 | |
| 4gl4 | NAI | Alcohol dehydrogenase class-3 | / | 0.489 | |
| 4jji | NAD | Alcohol dehydrogenase class-3 | / | 0.487 | |
| 1llu | NAD | Alcohol dehydrogenase | / | 0.482 | |
| 4dl9 | NAD | S-(hydroxymethyl)glutathione dehydrogenase | / | 0.482 | |
| 1e3e | NAI | Alcohol dehydrogenase 4 | 1.1.1.1 | 0.481 | |
| 1cdo | NAD | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.476 | |
| 2xaa | NAD | Secondary alcohol dehydrogenase | / | 0.473 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.462 | |
| 4w6z | 8ID | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.462 | |
| 1f8f | NAD | Benzyl alcohol dehydrogenase | / | 0.461 | |
| 1r37 | NAD | NAD-dependent alcohol dehydrogenase | 1.1.1.1 | 0.456 | |
| 4gkv | NAD | Alcohol dehydrogenase, propanol-preferring | 1.1.1.1 | 0.456 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.455 | |
| 1p0f | NAP | NADP-dependent alcohol dehydrogenase | 1.1.1.2 | 0.455 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.449 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.449 | |
| 3two | NDP | Mannitol dehydrogenase | / | 0.449 | |
| 2y05 | NAP | Prostaglandin reductase 1 | / | 0.448 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.448 | |
| 5dp2 | NAP | CurF | / | 0.448 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.448 | |
| 5env | NAD | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.447 | |
| 4fd2 | ADP | Chaperone protein ClpB | / | 0.446 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.443 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.443 | |
| 1kev | NDP | NADP-dependent isopropanol dehydrogenase | 1.1.1.80 | 0.442 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.442 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.442 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.442 | |
| 1ybm | NAP | Uncharacterized protein At5g02240 | / | 0.440 |