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 |
|---|---|---|---|
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 1.000 | |
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.533 | |
| 3v9l | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.531 | |
| 2jg7 | NAD | Antiquitin | / | 0.528 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.523 | |
| 2j6l | NAI | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.501 | |
| 4ihi | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.499 | |
| 3lns | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.492 | |
| 4zuk | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.485 | |
| 4pxn | NAD | Aldehyde dehydrogenase family 7 member B4 | / | 0.477 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.469 | |
| 2esd | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.468 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.462 | |
| 2o2q | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.458 | |
| 3lv1 | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.458 | |
| 3rhd | NAP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.457 | |
| 4nmj | NAP | Aldehyde dehydrogenase | / | 0.455 | |
| 3rhh | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.454 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.454 | |
| 4nmk | NAP | Aldehyde dehydrogenase | / | 0.454 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.450 | |
| 2ilu | NDP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.447 | |
| 1bpw | NAD | Betaine aldehyde dehydrogenase | 1.2.1.8 | 0.444 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.444 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.444 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.442 | |
| 2wme | NAP | NAD/NADP-dependent betaine aldehyde dehydrogenase | / | 0.442 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.440 |