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 |
|---|---|---|---|
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 1.000 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.534 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.518 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.516 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.515 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.503 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.491 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.484 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.483 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.479 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.479 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.477 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.476 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.476 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.474 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.474 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.473 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.472 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.472 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.469 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.469 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.465 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.464 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.464 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.464 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.464 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.464 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.463 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.462 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.461 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.460 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.460 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.460 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.459 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.458 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.457 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.456 | |
| 1sny | NAP | LD36273p | / | 0.456 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.455 | |
| 1iy8 | NAD | Levodione reductase | / | 0.455 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.455 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.454 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.453 | |
| 3sju | NDP | Keto reductase | / | 0.452 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.452 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.451 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.450 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.449 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.448 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.448 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.447 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.447 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.447 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.446 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.445 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.445 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.445 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.445 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.444 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.443 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.443 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.441 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.441 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.440 |