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 |
|---|---|---|---|
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 1.000 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.622 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.588 | |
| 1b14 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.563 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.563 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.518 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.515 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.498 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.489 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.479 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.476 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.472 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.469 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.468 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.467 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.467 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.466 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.464 | |
| 1iy8 | NAD | Levodione reductase | / | 0.464 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.463 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.462 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.457 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.456 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.454 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.453 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.451 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.450 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.449 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.449 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.448 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.447 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.446 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.446 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.444 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.442 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.441 |