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 |
|---|---|---|---|
| 1bpw | NAD | Betaine aldehyde dehydrogenase | 1.2.1.8 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 1bpw | NAD | Betaine aldehyde dehydrogenase | 1.2.1.8 | 1.000 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.567 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.565 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.561 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.553 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.553 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.549 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.546 | |
| 4a0m | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.544 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.539 | |
| 3haz | NAD | Bifunctional protein PutA | / | 0.539 | |
| 2jg7 | NAD | Antiquitin | / | 0.534 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.534 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.534 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.533 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.533 | |
| 3v9l | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.533 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.533 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.531 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.531 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.530 | |
| 2j6l | NAI | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.530 | |
| 2wme | NAP | NAD/NADP-dependent betaine aldehyde dehydrogenase | / | 0.530 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.530 | |
| 4f3x | NAD | Putative aldehyde dehydrogenase | / | 0.530 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.529 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.527 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.522 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.520 | |
| 4nmj | NAP | Aldehyde dehydrogenase | / | 0.520 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.520 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.518 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.516 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.515 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.515 | |
| 4h73 | NDP | Aldehyde dehydrogenase | / | 0.515 | |
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.513 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.509 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.509 | |
| 3rhh | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.507 | |
| 4nmk | NAP | Aldehyde dehydrogenase | / | 0.507 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.506 | |
| 4pxn | NAD | Aldehyde dehydrogenase family 7 member B4 | / | 0.506 | |
| 2ilu | NDP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.503 | |
| 4pt3 | NDP | Aldehyde dehydrogenase | / | 0.503 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.501 | |
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.498 | |
| 2d4e | NAD | 5-carboxymethyl-2-hydroxymuconate semialdehyde dehydrogenaseiheyensis HTE831] | / | 0.497 | |
| 4ihi | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.496 | |
| 4zuk | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.496 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.493 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.489 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.488 | |
| 2esd | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.488 | |
| 1qi1 | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.487 | |
| 3lns | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.487 | |
| 3lv1 | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.486 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.484 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.481 | |
| 2o2q | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.478 | |
| 3efv | NAD | Putative succinate-semialdehyde dehydrogenase | / | 0.473 | |
| 4go2 | TAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.470 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.466 | |
| 4itb | NDP | Succinate-semialdehyde dehydrogenase | / | 0.464 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.463 | |
| 1t90 | NAD | Malonate-semialdehyde dehydrogenase | 1.2.1.27 | 0.461 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.458 | |
| 2y5d | NAP | 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase | / | 0.456 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.455 | |
| 3rhd | NAP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.451 | |
| 2ntv | P1H | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.447 |