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 |
|---|---|---|---|
| 4yag | NAI | C alpha-dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4yag | NAI | C alpha-dehydrogenase | / | 1.000 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.892 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.522 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.497 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.496 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.493 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.489 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.487 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.486 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.483 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.483 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.477 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.475 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.474 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.474 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.473 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.473 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.472 | |
| 1sny | NAP | LD36273p | / | 0.472 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.472 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.472 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.471 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.471 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.469 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.469 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.468 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.468 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.466 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.466 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.466 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.464 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.464 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.464 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.463 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.463 | |
| 1iy8 | NAD | Levodione reductase | / | 0.462 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.462 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.460 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.460 | |
| 3sju | NDP | Keto reductase | / | 0.460 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.459 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.458 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.456 | |
| 4qec | NAP | ElxO | / | 0.456 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.455 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.455 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.455 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.454 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.454 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.452 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.451 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.450 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.450 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.450 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.449 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.449 | |
| 1nai | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.447 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.447 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.447 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.447 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.445 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.444 | |
| 3ru7 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.444 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.444 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.443 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.443 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.442 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.442 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.442 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.441 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.441 | |
| 4gll | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.441 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.441 |