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 |
|---|---|---|---|
| 4rnx | FMN | NADPH dehydrogenase 1 | 1.6.99.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4rnx | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 1.000 | |
| 1bwk | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.593 | |
| 1oyc | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.591 | |
| 1bwl | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.577 | |
| 4tmc | FMN | Old yellow enzyme | / | 0.542 | |
| 1k02 | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.540 | |
| 2abb | FMN | Pentaerythritol tetranitrate reductase | / | 0.525 | |
| 4rnv | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.520 | |
| 1oya | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.517 | |
| 4h6k | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.505 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.502 | |
| 4k7y | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.494 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.493 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.490 | |
| 3p8i | FMN | Pentaerythritol tetranitrate reductase | / | 0.486 | |
| 4rnw | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.480 | |
| 1ics | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.479 | |
| 4e2d | FMN | Dehydrogenase | / | 0.476 | |
| 1h63 | FMN | Pentaerythritol tetranitrate reductase | / | 0.472 | |
| 1vji | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.471 | |
| 2hs6 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.470 | |
| 4m5p | FMN | NADPH dehydrogenase | / | 0.470 | |
| 4a3u | FMN | NADH:flavin oxidoreductase/NADH oxidase | / | 0.468 | |
| 3p82 | FMN | Pentaerythritol tetranitrate reductase | / | 0.467 | |
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.464 | |
| 2q3r | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.464 | |
| 4df2 | FMN | NADPH dehydrogenase | / | 0.461 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.458 | |
| 4jic | FMN | GTN Reductase | / | 0.458 | |
| 4awt | FMN | NADH:flavin oxidoreductase Sye1 | / | 0.456 | |
| 4qai | FMN | NADPH dehydrogenase | / | 0.454 | |
| 3p84 | FMN | Pentaerythritol tetranitrate reductase | / | 0.452 | |
| 3hgr | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.451 | |
| 1icq | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.445 | |
| 1gox | FMN | Peroxisomal (S)-2-hydroxy-acid oxidase | 1.1.3.15 | 0.443 | |
| 3tjl | FMN | NADPH dehydrogenase | / | 0.443 | |
| 3gka | FMN | N-ethylmaleimide reductase | / | 0.442 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 2e77 | FMN | Lactate oxidase | / | 0.440 |