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 |
|---|---|---|---|
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 1.000 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.653 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.621 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.575 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.564 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.563 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.563 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.558 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.554 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.549 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.547 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.546 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.546 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.543 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.540 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.539 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.537 | |
| 4a0m | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.536 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.530 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.530 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.529 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.529 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.528 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.524 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.523 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.517 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.517 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.515 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.512 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.511 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.509 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.506 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.501 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.498 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.487 | |
| 2d4e | NAD | 5-carboxymethyl-2-hydroxymuconate semialdehyde dehydrogenaseiheyensis HTE831] | / | 0.484 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.476 | |
| 4f3x | NAD | Putative aldehyde dehydrogenase | / | 0.475 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.466 | |
| 4h73 | NDP | Aldehyde dehydrogenase | / | 0.464 | |
| 3haz | NAD | Bifunctional protein PutA | / | 0.463 | |
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.454 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.454 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.440 |