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 |
|---|---|---|---|
| 2vro | NDP | 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2vro | NDP | 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase | / | 1.000 | |
| 2y53 | NAP | 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase | / | 0.632 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.533 | |
| 2y5d | NAP | 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase | / | 0.521 | |
| 4go2 | TAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.514 | |
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.505 | |
| 4zuk | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.504 | |
| 4i9b | NAD | Putative betaine aldehyde dehyrogenase | / | 0.503 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.499 | |
| 3rhh | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.497 | |
| 3lns | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.493 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.482 | |
| 3rhd | NAP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.480 | |
| 3v9l | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.480 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.476 | |
| 4h73 | NDP | Aldehyde dehydrogenase | / | 0.474 | |
| 2eit | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.473 | |
| 1wnb | NAI | Gamma-aminobutyraldehyde dehydrogenase | 1.2.1.19 | 0.472 | |
| 3lv1 | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.471 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.470 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.468 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.465 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.459 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.458 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.457 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.456 | |
| 2gvc | FAD | Thiol-specific monooxygenase | 1.14.13 | 0.454 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.448 | |
| 4ihi | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.447 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.446 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.445 | |
| 2esd | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.442 | |
| 4oe4 | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.440 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.440 |