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 |
|---|---|---|---|
| 2d4e | NAD | 5-carboxymethyl-2-hydroxymuconate semialdehyde dehydrogenaseiheyensis HTE831] |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2d4e | NAD | 5-carboxymethyl-2-hydroxymuconate semialdehyde dehydrogenaseiheyensis HTE831] | / | 1.000 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.594 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.550 | |
| 4nmk | NAP | Aldehyde dehydrogenase | / | 0.550 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.546 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.545 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.544 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.543 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.542 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.534 | |
| 4h73 | NDP | Aldehyde dehydrogenase | / | 0.531 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.530 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.529 | |
| 4nmj | NAP | Aldehyde dehydrogenase | / | 0.528 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.526 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.523 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.521 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.519 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.518 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.515 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.514 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.514 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.512 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.508 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.507 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.506 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.502 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.499 | |
| 4f3x | NAD | Putative aldehyde dehydrogenase | / | 0.499 | |
| 1bpw | NAD | Betaine aldehyde dehydrogenase | 1.2.1.8 | 0.495 | |
| 4a0m | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.492 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.489 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.487 | |
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.487 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.485 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.484 | |
| 2wme | NAP | NAD/NADP-dependent betaine aldehyde dehydrogenase | / | 0.483 | |
| 2ilu | NDP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.480 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.478 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.477 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.476 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.474 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.474 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.474 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.473 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.465 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.460 | |
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.450 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.447 | |
| 4pt3 | NDP | Aldehyde dehydrogenase | / | 0.445 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.442 | |
| 2jg7 | NAD | Antiquitin | / | 0.441 |