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 |
|---|---|---|---|
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 1.000 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.652 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.507 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.502 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.501 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.501 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.500 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.499 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.497 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.493 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.493 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.492 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.490 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.489 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.489 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.487 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.485 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.485 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.484 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.481 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.481 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.480 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.479 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.478 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.477 | |
| 1sny | NAP | LD36273p | / | 0.476 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.474 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.473 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.469 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.469 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.468 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.468 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.466 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.465 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.465 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.464 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.464 | |
| 1iy8 | NAD | Levodione reductase | / | 0.463 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.462 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.461 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.461 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.458 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.456 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.456 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.455 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.454 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.454 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.453 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.452 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.452 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.450 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.450 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.450 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.448 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.447 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.447 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.446 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.446 | |
| 3sju | NDP | Keto reductase | / | 0.445 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.445 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.444 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.442 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.442 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.441 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.441 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.440 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.440 |