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 |
|---|---|---|---|
| 1fea | FAD | Trypanothione reductase | 1.8.1.12 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1fea | FAD | Trypanothione reductase | 1.8.1.12 | 1.000 | |
| 1feb | FAD | Trypanothione reductase | 1.8.1.12 | 0.594 | |
| 2j3n | FAD | Thioredoxin reductase 1, cytoplasmic | 1.8.1.9 | 0.555 | |
| 2gh5 | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.537 | |
| 1k4q | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.536 | |
| 1ger | FAD | Glutathione reductase | 1.8.1.7 | 0.532 | |
| 3qfb | FAD | Thioredoxin reductase 1, cytoplasmic | 1.8.1.9 | 0.532 | |
| 4kpr | FAD | Thioredoxin reductase 1, cytoplasmic | 1.8.1.9 | 0.530 | |
| 4gr1 | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.518 | |
| 1grh | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.513 | |
| 3sqp | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.510 | |
| 1bwc | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.509 | |
| 3grs | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.503 | |
| 3dk8 | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.502 | |
| 4nev | FAD | Trypanothione reductase | / | 0.502 | |
| 1h6v | FAD | Thioredoxin reductase 1, cytoplasmic | 1.8.1.9 | 0.500 | |
| 1gre | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.498 | |
| 2cfy | FAD | Thioredoxin reductase 1, cytoplasmic | 1.8.1.9 | 0.498 | |
| 1bzl | FAD | Trypanothione reductase | 1.8.1.12 | 0.496 | |
| 1grg | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.495 | |
| 1gsn | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.494 | |
| 2r9z | FAD | Glutathione amide reductase | / | 0.493 | |
| 3dk9 | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.491 | |
| 4jq9 | FAD | Dihydrolipoyl dehydrogenase | / | 0.491 | |
| 1gra | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.489 | |
| 2v6o | FAD | Thioredoxin glutathione reductase | / | 0.489 | |
| 3dgz | FAD | Thioredoxin reductase 2, mitochondrial | 1.8.1.9 | 0.483 | |
| 3dk4 | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.477 | |
| 1geu | FAD | Glutathione reductase | 1.8.1.7 | 0.468 | |
| 2eq8 | FAD | Dihydrolipoyl dehydrogenase | / | 0.462 | |
| 1zx9 | FAD | Mercuric reductase | 1.16.1.1 | 0.457 | |
| 4jdr | FAD | Dihydrolipoyl dehydrogenase | 1.8.1.4 | 0.451 | |
| 1zk7 | FAD | Mercuric reductase | 1.16.1.1 | 0.446 | |
| 2rab | FAD | Glutathione amide reductase | / | 0.443 | |
| 3urh | FAD | Dihydrolipoyl dehydrogenase | / | 0.442 | |
| 1lvl | FAD | Dihydrolipoyl dehydrogenase | 1.8.1.4 | 0.441 |