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 |
|---|---|---|---|
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 1.000 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.520 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.506 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.504 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.502 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.497 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.492 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.489 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.488 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.487 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.485 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.484 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.483 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.482 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.478 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.476 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.475 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.473 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.473 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.472 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.471 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.471 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.471 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.471 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.470 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.470 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.470 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.468 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.468 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.466 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.464 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.464 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.464 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.463 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.463 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.463 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.461 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.461 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.460 | |
| 3sju | NDP | Keto reductase | / | 0.460 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.460 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.458 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.457 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.457 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.456 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.455 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.454 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.454 | |
| 1sny | NAP | LD36273p | / | 0.453 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.453 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.453 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.452 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.452 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.451 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.451 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.451 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.450 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.450 | |
| 4qec | NAP | ElxO | / | 0.450 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.449 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.447 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.446 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.446 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.444 | |
| 1iy8 | NAD | Levodione reductase | / | 0.443 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.443 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.442 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.441 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.441 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.441 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.440 | |
| 3uce | NDP | Dehydrogenase | / | 0.440 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.440 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.440 |