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 |
|---|---|---|---|
| 2jd1 | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2jd1 | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 1.000 | |
| 2jd0 | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.666 | |
| 1q0q | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.563 | |
| 1p0f | NAP | NADP-dependent alcohol dehydrogenase | 1.1.1.2 | 0.472 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.467 | |
| 4wji | NAP | Putative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase | / | 0.463 | |
| 3abi | NAD | Uncharacterized protein | / | 0.448 | |
| 1nvm | NAD | Acetaldehyde dehydrogenase | 1.2.1.10 | 0.446 | |
| 4dpm | COA | Malonyl-CoA reductase | 1.2.1.75 | 0.446 | |
| 4hfm | NAP | 2-alkenal reductase (NADP(+)-dependent) | / | 0.445 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.440 |