sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 1.000 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.632 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.624 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.610 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.591 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.581 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.573 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.569 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.568 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.561 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.558 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.554 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.553 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.552 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.545 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.545 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.540 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.532 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.531 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.526 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.525 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.525 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.525 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.523 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.521 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.507 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.501 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.485 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.485 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.483 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.483 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.481 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.479 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.474 | |
| 2jg7 | NAD | Antiquitin | / | 0.473 | |
| 3haz | NAD | Bifunctional protein PutA | / | 0.465 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.461 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.451 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.450 | |
| 2o2q | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.450 | |
| 3lns | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.443 |