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 |
|---|---|---|---|
| 4tmc | FMN | Old yellow enzyme |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4tmc | FMN | Old yellow enzyme | / | 1.000 | |
| 1bwl | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.630 | |
| 1bwk | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.626 | |
| 4rnv | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.591 | |
| 1oyc | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.580 | |
| 1k02 | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.578 | |
| 4tmb | FMN | Old yellow enzyme | / | 0.561 | |
| 4rnw | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.550 | |
| 1ics | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.530 | |
| 4rnx | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.526 | |
| 4qai | FMN | NADPH dehydrogenase | / | 0.525 | |
| 2hs6 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.522 | |
| 4e2d | FMN | Dehydrogenase | / | 0.517 | |
| 4jic | FMN | GTN Reductase | / | 0.507 | |
| 4df2 | FMN | NADPH dehydrogenase | / | 0.501 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.498 | |
| 2abb | FMN | Pentaerythritol tetranitrate reductase | / | 0.494 | |
| 3aty | FMN | Prostaglandin F2a synthase | / | 0.491 | |
| 3tjl | FMN | NADPH dehydrogenase | / | 0.491 | |
| 1icq | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.488 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.485 | |
| 4a3u | FMN | NADH:flavin oxidoreductase/NADH oxidase | / | 0.482 | |
| 4m5p | FMN | NADPH dehydrogenase | / | 0.482 | |
| 3p82 | FMN | Pentaerythritol tetranitrate reductase | / | 0.478 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.477 | |
| 1vji | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.476 | |
| 2q3r | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.476 | |
| 3atz | FMN | Prostaglandin F2a synthase | / | 0.475 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.475 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.474 | |
| 3hgr | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.469 | |
| 4h6k | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.469 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.456 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.452 | |
| 4e2b | FMN | Dehydrogenase | / | 0.448 | |
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.447 | |
| 1oya | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.447 | |
| 1h63 | FMN | Pentaerythritol tetranitrate reductase | / | 0.445 | |
| 3p8i | FMN | Pentaerythritol tetranitrate reductase | / | 0.444 | |
| 3ziu | LSS | Leucyl-tRNA synthetase | / | 0.442 | |
| 4awt | FMN | NADH:flavin oxidoreductase Sye1 | / | 0.442 | |
| 4i6g | FAD | Cryptochrome-2 | / | 0.442 |