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 |
|---|---|---|---|
| 2eit | NAD | 1-pyrroline-5-carboxylate dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2eit | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 1.000 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.888 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.862 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.856 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.818 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.706 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.649 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.576 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.557 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.556 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.546 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.537 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.533 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.531 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.527 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.522 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.517 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.512 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.509 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.503 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.502 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.493 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.491 | |
| 4i9b | NAD | Putative betaine aldehyde dehyrogenase | / | 0.488 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.482 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.475 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.463 | |
| 4nmj | NAP | Aldehyde dehydrogenase | / | 0.463 | |
| 1wnb | NAI | Gamma-aminobutyraldehyde dehydrogenase | 1.2.1.19 | 0.458 | |
| 4nmk | NAP | Aldehyde dehydrogenase | / | 0.455 | |
| 4pt3 | NDP | Aldehyde dehydrogenase | / | 0.453 | |
| 3v9l | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.451 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.447 |