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 |
|---|---|---|---|
| 4pt3 | NDP | Aldehyde dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4pt3 | NDP | Aldehyde dehydrogenase | / | 1.000 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.545 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.538 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.522 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.517 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.517 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.512 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.512 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.512 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.510 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.510 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.510 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.509 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.502 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.499 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.495 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.494 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.494 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.494 | |
| 3v9l | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.490 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.490 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.487 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.485 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.479 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.476 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.465 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.465 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.455 | |
| 4nmj | NAP | Aldehyde dehydrogenase | / | 0.455 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.452 | |
| 3rhd | NAP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.452 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.447 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.446 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.444 |