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 |
|---|---|---|---|
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 1.000 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.637 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.619 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.605 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.569 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.523 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.518 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.513 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.510 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.506 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.505 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.505 | |
| 4hxy | NDP | Plm1 | / | 0.498 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.497 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.497 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.494 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.494 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.492 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.492 | |
| 4kwh | NAP | Reductase homolog | / | 0.491 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.491 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.490 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.489 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.488 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.488 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.487 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.487 | |
| 3sju | NDP | Keto reductase | / | 0.486 | |
| 1iy8 | NAD | Levodione reductase | / | 0.483 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.483 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.482 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.478 | |
| 4l4x | NDP | AmphI | / | 0.478 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.477 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.476 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.475 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.474 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.473 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.470 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.469 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.469 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.468 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.468 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.467 | |
| 3mje | NDP | AmphB | / | 0.467 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.466 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.466 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.462 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.461 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.461 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.460 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.459 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.459 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.458 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.457 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.457 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.457 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.452 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.450 | |
| 2y99 | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.450 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.450 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.450 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.449 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.449 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.448 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.446 | |
| 1jtv | TES | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.445 | |
| 4mih | FAD | Pyranose 2-oxidase | 1.1.3.10 | 0.445 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.444 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.444 | |
| 3t2z | FAD | Sulfide-quinone reductase | / | 0.443 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.443 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.443 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.442 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.441 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.440 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.440 |