sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 1.000 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.613 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.588 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.585 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.573 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.559 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.553 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.548 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.544 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.542 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.538 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.529 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.529 | |
| 1sny | NAP | LD36273p | / | 0.514 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.512 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.505 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.499 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.499 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.497 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.496 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.496 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.496 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.494 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.493 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.491 | |
| 4qec | NAP | ElxO | / | 0.490 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.488 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.487 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.483 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.483 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.481 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.480 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.479 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.478 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.478 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.477 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.476 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.472 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.470 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.470 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.470 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.469 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.464 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.464 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.462 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.462 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.462 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.461 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.461 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.460 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.460 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.460 | |
| 3sju | NDP | Keto reductase | / | 0.456 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.456 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.456 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.454 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.454 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.454 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.451 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.450 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.450 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.450 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.450 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.449 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.449 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.449 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.448 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.448 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.447 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.446 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.445 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.444 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.442 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.440 |