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 |
|---|---|---|---|
| 3a0t | ADP | Sensor histidine kinase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3a0t | ADP | Sensor histidine kinase | / | 1.000 | |
| 1gjv | AGS | [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | 2.7.11.4 | 0.496 | |
| 2zkj | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.487 | |
| 2e0a | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.482 | |
| 1nhh | ANP | DNA mismatch repair protein MutL | / | 0.478 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.471 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.467 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.462 | |
| 1zxm | ANP | DNA topoisomerase 2-alpha | 5.99.1.3 | 0.460 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.457 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.456 | |
| 2zdy | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.454 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.453 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.450 | |
| 1kbo | 340 | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
| 1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.447 | |
| 3djj | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.447 | |
| 4prv | ADP | DNA gyrase subunit B | / | 0.447 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.445 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.444 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.444 | |
| 3in6 | FMN | Uncharacterized protein | / | 0.444 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.443 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.443 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 2o1s | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.442 | |
| 1ju2 | FAD | (R)-mandelonitrile lyase 2 | 4.1.2.10 | 0.441 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.441 | |
| 4e2d | FMN | Dehydrogenase | / | 0.441 | |
| 4ef8 | FMN | Dihydroorotate dehydrogenase (fumarate) | / | 0.441 | |
| 1kfb | IGP | Tryptophan synthase alpha chain | / | 0.440 | |
| 3gvi | ADP | Malate dehydrogenase | / | 0.440 |