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 |
|---|---|---|---|
| 2e83 | FMN | FMN-binding protein |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2e83 | FMN | FMN-binding protein | / | 1.000 | |
| 3vy5 | FMN | FMN-binding protein | / | 0.703 | |
| 3vy2 | FMN | FMN-binding protein | / | 0.673 | |
| 3awh | FMN | FMN-binding protein | / | 0.670 | |
| 3a6r | FMN | FMN-binding protein | / | 0.661 | |
| 3a6q | FMN | FMN-binding protein | / | 0.643 | |
| 3amf | FMN | FMN-binding protein | / | 0.638 | |
| 1flm | FMN | FMN-binding protein | / | 0.632 | |
| 3a20 | FMN | FMN-binding protein | / | 0.579 | |
| 1wlk | FMN | FMN-binding protein | / | 0.557 | |
| 1wli | FMN | FMN-binding protein | / | 0.514 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.470 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.456 | |
| 1rx1 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 1dgm | ADN | Adenosine kinase | 2.7.1.20 | 0.453 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 2nq8 | ZID | Enoyl-ACP reductase | / | 0.451 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.450 | |
| 1bil | 0IU | Renin | 3.4.23.15 | 0.449 | |
| 1lf2 | R37 | Plasmepsin-2 | 3.4.23.39 | 0.445 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.445 | |
| 1j3k | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.444 | |
| 1rx8 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4o1m | NAD | Enoyl-acyl carrier reductase | / | 0.444 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.443 | |
| 5adh | APR | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.443 | |
| 3own | 3OX | Renin | 3.4.23.15 | 0.442 | |
| 4eji | 0QA | Cytochrome P450 2A13 | 1.14.14.1 | 0.442 | |
| 1f20 | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.441 | |
| 1s3u | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.441 | |
| 3cls | FAD | Electron transfer flavoprotein subunit alpha | / | 0.441 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.441 |