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 |
|---|---|---|---|
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 1.000 | |
| 2jg7 | NAD | Antiquitin | / | 0.544 | |
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.539 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.534 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.534 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.530 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.530 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.528 | |
| 3lns | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.526 | |
| 2j6l | NAI | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.521 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.519 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.518 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.511 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.511 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.510 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.510 | |
| 3lv1 | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.509 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.503 | |
| 2esd | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.503 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.500 | |
| 4a0m | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.500 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.498 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.498 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.497 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.497 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.497 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.494 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.492 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.492 | |
| 3haz | NAD | Bifunctional protein PutA | / | 0.490 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.487 | |
| 1bpw | NAD | Betaine aldehyde dehydrogenase | 1.2.1.8 | 0.486 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.485 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.484 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.482 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.482 | |
| 2d4e | NAD | 5-carboxymethyl-2-hydroxymuconate semialdehyde dehydrogenaseiheyensis HTE831] | / | 0.482 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.482 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.479 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.479 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.478 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.478 | |
| 4zuk | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.477 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.475 | |
| 2y5d | NAP | 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase | / | 0.475 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.474 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.473 | |
| 4h73 | NDP | Aldehyde dehydrogenase | / | 0.473 | |
| 2ilu | NDP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.472 | |
| 4nmj | NAP | Aldehyde dehydrogenase | / | 0.472 | |
| 3rhh | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.470 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.467 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.467 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.467 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.466 | |
| 4ihi | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.466 | |
| 1qi1 | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.457 | |
| 2wme | NAP | NAD/NADP-dependent betaine aldehyde dehydrogenase | / | 0.457 | |
| 3rhd | NAP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.457 | |
| 3v9l | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.457 | |
| 1osv | CHC | Bile acid receptor | / | 0.456 | |
| 1xuo | LA1 | Integrin alpha-L | / | 0.455 | |
| 3irx | UDR | Gag-Pol polyprotein | 2.7.7.49 | 0.454 | |
| 4i3w | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.451 | |
| 3is9 | AC7 | Gag-Pol polyprotein | 2.7.7.49 | 0.450 | |
| 4nmk | NAP | Aldehyde dehydrogenase | / | 0.449 | |
| 4pxn | NAD | Aldehyde dehydrogenase family 7 member B4 | / | 0.448 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.445 | |
| 2o2q | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.444 | |
| 3aba | FLI | Cytochrome P450 | / | 0.444 | |
| 2qo5 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.443 | |
| 2jn3 | JN3 | Fatty acid-binding protein, liver | / | 0.441 |