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 |
|---|---|---|---|
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 1.000 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.599 | |
| 1hdr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.549 | |
| 3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.522 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.472 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.468 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.465 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.457 | |
| 3rua | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.457 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.455 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.454 | |
| 1k6c | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.452 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.450 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.448 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.448 | |
| 4qec | NAP | ElxO | / | 0.447 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.444 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.444 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.443 | |
| 3ig6 | 438 | Urokinase-type plasminogen activator | 3.4.21.73 | 0.442 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.441 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.441 |