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 |
|---|---|---|---|
| 4pxl | NAD | Aldehyde dehydrogenase3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 1.000 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.609 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.600 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.598 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.597 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.584 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.583 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.583 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.582 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.580 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.580 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.575 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.573 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.572 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.571 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.570 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.569 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.567 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.567 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.565 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.563 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.558 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.556 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.556 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.556 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.556 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.554 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.514 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.508 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.506 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.500 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.491 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.489 | |
| 4pt3 | NDP | Aldehyde dehydrogenase | / | 0.472 | |
| 4a0m | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.464 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.460 | |
| 4h73 | NDP | Aldehyde dehydrogenase | / | 0.460 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.455 | |
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.453 | |
| 4nmj | NAP | Aldehyde dehydrogenase | / | 0.448 | |
| 3rhd | NAP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.447 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.443 | |
| 2eit | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.441 |