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 |
|---|---|---|---|
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 1.000 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.537 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.523 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.522 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.515 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.512 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.510 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.509 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.505 | |
| 4qec | NAP | ElxO | / | 0.505 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.501 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.497 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.493 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.492 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.490 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.489 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.488 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.486 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.485 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.485 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.484 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.482 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.480 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.478 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.477 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.475 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.475 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.474 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.473 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.471 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.470 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.468 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.467 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.461 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.461 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.461 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.461 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.460 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.458 | |
| 1sny | NAP | LD36273p | / | 0.458 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.458 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.456 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.456 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.456 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.455 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.455 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.455 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.454 | |
| 3sju | NDP | Keto reductase | / | 0.453 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.452 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.451 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.451 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.450 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.450 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.449 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.449 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.449 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.446 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.446 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.445 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.444 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.444 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.443 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.443 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.442 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.441 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.440 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.440 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.440 |