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 |
|---|---|---|---|
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 1.000 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.510 | |
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.503 | |
| 2jg7 | NAD | Antiquitin | / | 0.498 | |
| 3lns | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.491 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.491 | |
| 4zuk | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.487 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.481 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.477 | |
| 3lv1 | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.470 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.469 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.468 | |
| 2j6l | NAI | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.464 | |
| 2esd | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.455 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.453 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.453 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.452 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.450 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.449 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.449 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.449 | |
| 3rhh | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.448 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.447 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.445 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.445 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.443 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.442 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.442 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.442 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.441 | |
| 4ihi | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.440 |