sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 1.000 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.599 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.585 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.584 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.560 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.560 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.560 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.555 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.553 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.552 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.552 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.546 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.546 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.545 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.543 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.542 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.539 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.538 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.536 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.532 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.530 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.529 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.518 | |
| 4a0m | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.515 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.508 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.506 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.505 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.500 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.499 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.494 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.488 | |
| 3haz | NAD | Bifunctional protein PutA | / | 0.475 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.472 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.467 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.466 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.464 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.458 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.450 | |
| 4pt3 | NDP | Aldehyde dehydrogenase | / | 0.450 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.450 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.445 |