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 |
|---|---|---|---|
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 1.000 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.631 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.599 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.597 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.590 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.583 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.565 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.555 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.550 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.545 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.534 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.533 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.527 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.524 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.499 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.478 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.477 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.474 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.473 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.472 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.469 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.467 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.466 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.466 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.462 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.459 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.449 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.449 |