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 |
|---|---|---|---|
| 1wnb | NAI | Gamma-aminobutyraldehyde dehydrogenase | 1.2.1.19 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1wnb | NAI | Gamma-aminobutyraldehyde dehydrogenase | 1.2.1.19 | 1.000 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.527 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.513 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.506 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.502 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.499 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.496 | |
| 3haz | NAD | Bifunctional protein PutA | / | 0.487 | |
| 2eit | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.486 | |
| 4i9b | NAD | Putative betaine aldehyde dehyrogenase | / | 0.485 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.483 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.482 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.480 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.475 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.475 | |
| 4go2 | TAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.475 | |
| 4itb | NDP | Succinate-semialdehyde dehydrogenase | / | 0.475 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.471 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.471 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.470 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.469 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.469 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.468 | |
| 3v9l | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.467 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.466 | |
| 4f3x | NAD | Putative aldehyde dehydrogenase | / | 0.466 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.466 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.465 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.465 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.462 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.458 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.458 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.454 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.453 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.453 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.452 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.452 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.452 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.448 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.447 |