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 |
|---|---|---|---|
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 1.000 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.642 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.586 | |
| 1iy8 | NAD | Levodione reductase | / | 0.530 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.528 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.527 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.521 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.520 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.515 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.510 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.508 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.504 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.503 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.498 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.492 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.492 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.491 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.491 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.490 | |
| 3sju | NDP | Keto reductase | / | 0.490 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.489 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.489 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.488 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.487 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.486 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.485 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.483 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.483 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.481 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.479 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.478 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.478 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.477 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.476 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.473 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.472 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.471 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.470 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.469 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.469 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.468 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.464 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.464 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.464 | |
| 4qed | NAP | ElxO | / | 0.461 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.461 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.460 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.460 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.460 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.460 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.458 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.458 | |
| 4qec | NAP | ElxO | / | 0.456 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.455 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.455 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.454 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.454 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.454 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.452 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.450 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.448 | |
| 1i2b | NAD | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.447 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.447 | |
| 2a92 | NAI | L-lactate dehydrogenase | / | 0.446 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.446 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.445 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.445 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.444 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.444 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.444 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.444 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.442 |