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 |
|---|---|---|---|
| 3a4v | NAD | NDP-sugar epimerase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3a4v | NAD | NDP-sugar epimerase | / | 1.000 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.717 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.551 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.533 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.522 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.492 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.480 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.479 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.475 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.475 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.468 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.459 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.458 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.458 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.455 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.455 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.453 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.452 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.451 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.449 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.447 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.446 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.446 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.444 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.444 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.444 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.443 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.442 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.440 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.440 |