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 |
|---|---|---|---|
| 2wsb | NAD | Galactitol dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2wsb | NAD | Galactitol dehydrogenase | / | 1.000 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.620 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.545 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.543 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.543 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.528 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.527 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.521 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.502 | |
| 1iy8 | NAD | Levodione reductase | / | 0.500 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.498 | |
| 3sju | NDP | Keto reductase | / | 0.498 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.495 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.494 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.492 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.490 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.489 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.481 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.481 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.480 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.480 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.477 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.474 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.474 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.472 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.472 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.470 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.470 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.469 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.469 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.469 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.467 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.467 | |
| 1sny | NAP | LD36273p | / | 0.466 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.463 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.463 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.462 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.462 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.462 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.462 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.459 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.459 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.458 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.458 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.457 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.455 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.455 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.454 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.454 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.450 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.449 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.448 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.448 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.448 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.447 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.447 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.447 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.446 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.445 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.445 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.445 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.444 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.444 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.444 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.443 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.442 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.442 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.440 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.440 |