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 |
|---|---|---|---|
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 1.000 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.576 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.568 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.565 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.560 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.553 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.545 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.544 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.541 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.540 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.539 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.537 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.537 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.534 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.533 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.531 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.527 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.526 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.524 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.522 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.521 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.517 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.516 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.516 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.514 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.510 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.496 | |
| 4a0m | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.489 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.485 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.478 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.478 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.477 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.471 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.461 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.455 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.446 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.440 |