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 |
|---|---|---|---|
| 1bpw | NAD | Betaine aldehyde dehydrogenase | 1.2.1.8 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1bpw | NAD | Betaine aldehyde dehydrogenase | 1.2.1.8 | 1.000 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.563 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.556 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.551 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.548 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.547 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.545 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.543 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.542 | |
| 2wme | NAP | NAD/NADP-dependent betaine aldehyde dehydrogenase | / | 0.532 | |
| 3v9l | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.531 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.530 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.530 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.526 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.525 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.524 | |
| 2jg7 | NAD | Antiquitin | / | 0.523 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.522 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.522 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.521 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.519 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.519 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.517 | |
| 4f3x | NAD | Putative aldehyde dehydrogenase | / | 0.516 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.513 | |
| 2j6l | NAI | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.513 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.513 | |
| 4nmj | NAP | Aldehyde dehydrogenase | / | 0.513 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.513 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.512 | |
| 4a0m | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.508 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.507 | |
| 4h73 | NDP | Aldehyde dehydrogenase | / | 0.507 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.506 | |
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.506 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.504 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.503 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.501 | |
| 4pt3 | NDP | Aldehyde dehydrogenase | / | 0.500 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.499 | |
| 2d4e | NAD | 5-carboxymethyl-2-hydroxymuconate semialdehyde dehydrogenaseiheyensis HTE831] | / | 0.497 | |
| 2ilu | NDP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.497 | |
| 3rhh | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.497 | |
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.496 | |
| 2esd | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.495 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.494 | |
| 4ihi | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.493 | |
| 4nmk | NAP | Aldehyde dehydrogenase | / | 0.493 | |
| 4zuk | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.493 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.491 | |
| 3rhd | NAP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.489 | |
| 1qi1 | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.487 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.486 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.484 | |
| 2o2q | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.477 | |
| 3lv1 | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.477 | |
| 3lns | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.475 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.473 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.467 | |
| 4go2 | TAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.463 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.462 | |
| 1t90 | NAD | Malonate-semialdehyde dehydrogenase | 1.2.1.27 | 0.460 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 4itb | NDP | Succinate-semialdehyde dehydrogenase | / | 0.456 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.454 | |
| 2y5d | NAP | 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase | / | 0.451 | |
| 2v2q | NVG | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.448 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.445 | |
| 4eua | COA | Succinyl-CoA:acetate CoA-transferase | / | 0.443 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.441 | |
| 2ntv | P1H | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.440 |