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 |
|---|---|---|---|
| 4b79 | NAD | Probable short-chain dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 1.000 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.547 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.536 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.532 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.529 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.528 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.527 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.524 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.523 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.522 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.517 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.515 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.513 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.502 | |
| 4qec | NAP | ElxO | / | 0.502 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.496 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.496 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.490 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.490 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.488 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.487 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.486 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.486 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.484 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.478 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.477 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.476 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.476 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.475 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.472 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.471 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.471 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.469 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.469 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.468 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.467 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.467 | |
| 1qyv | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.465 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.465 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.464 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.464 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.464 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.462 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.462 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.461 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.460 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.459 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.459 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.459 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.458 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.457 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.456 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.456 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.455 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.453 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.451 | |
| 4qed | NAP | ElxO | / | 0.451 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.450 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.450 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.447 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.447 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.447 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.446 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.446 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.445 | |
| 1iy8 | NAD | Levodione reductase | / | 0.444 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.444 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.444 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.443 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.443 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.442 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.441 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.440 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.440 | |
| 3uce | NDP | Dehydrogenase | / | 0.440 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.440 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.440 |