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 |
|---|---|---|---|
| 3iwj | NAD | Aminoaldehyde dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 1.000 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.639 | |
| 4a0m | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.627 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.624 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.605 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.604 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.597 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.592 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.585 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.584 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.584 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.571 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.569 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.565 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.563 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.561 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.559 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.559 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.558 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.556 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.556 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.556 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.556 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.555 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.553 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.552 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.552 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.552 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.549 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.548 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.547 | |
| 1bpw | NAD | Betaine aldehyde dehydrogenase | 1.2.1.8 | 0.546 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.543 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.542 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.541 | |
| 4f3x | NAD | Putative aldehyde dehydrogenase | / | 0.539 | |
| 2wme | NAP | NAD/NADP-dependent betaine aldehyde dehydrogenase | / | 0.537 | |
| 2d4e | NAD | 5-carboxymethyl-2-hydroxymuconate semialdehyde dehydrogenaseiheyensis HTE831] | / | 0.529 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.527 | |
| 4h73 | NDP | Aldehyde dehydrogenase | / | 0.521 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.517 | |
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.516 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.508 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.507 | |
| 4nmj | NAP | Aldehyde dehydrogenase | / | 0.492 | |
| 4i8q | NAD | Putative betaine aldehyde dehyrogenase | / | 0.483 | |
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.482 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.481 | |
| 3haz | NAD | Bifunctional protein PutA | / | 0.480 | |
| 4nmk | NAP | Aldehyde dehydrogenase | / | 0.477 | |
| 4i9b | NAD | Putative betaine aldehyde dehyrogenase | / | 0.471 | |
| 4pt3 | NDP | Aldehyde dehydrogenase | / | 0.469 | |
| 3lns | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.467 | |
| 3v9l | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.465 | |
| 3rhd | NAP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.463 | |
| 2jg7 | NAD | Antiquitin | / | 0.454 | |
| 3rhh | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.451 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.449 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.448 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.446 | |
| 2o2q | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.445 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.445 | |
| 1qor | NDP | Quinone oxidoreductase 1 | / | 0.440 | |
| 4ihi | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.440 |