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 |
|---|---|---|---|
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 1.000 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.596 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.576 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.554 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.538 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.533 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.533 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.533 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.524 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.522 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.522 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.521 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.518 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.517 | |
| 4qec | NAP | ElxO | / | 0.517 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.512 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.509 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.506 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.502 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.501 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.499 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.499 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.499 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.498 | |
| 1sny | NAP | LD36273p | / | 0.494 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.493 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.493 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.492 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.490 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.489 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.489 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.488 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.488 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.488 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.487 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.487 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.483 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.478 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.476 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.475 | |
| 1ybm | NAP | Uncharacterized protein At5g02240 | / | 0.473 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.473 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.473 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.470 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.470 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.470 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.467 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.466 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.465 | |
| 4imp | NDP | Polyketide synthase extender modules 3-4 | / | 0.465 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.464 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.463 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.463 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.463 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.463 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.461 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.460 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.460 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.459 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.454 | |
| 4qed | NAP | ElxO | / | 0.454 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.453 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.453 | |
| 4b8w | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.452 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.452 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.451 | |
| 3uce | NDP | Dehydrogenase | / | 0.451 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.451 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.450 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.450 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.450 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.448 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.448 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.447 | |
| 1n7h | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.446 | |
| 1iy8 | NAD | Levodione reductase | / | 0.444 | |
| 1n7g | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.444 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.443 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.443 | |
| 4jbi | NDP | Alcohol dehydrogenase (Zinc) | / | 0.443 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.442 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.441 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.441 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.440 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.440 |