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 |
|---|---|---|---|
| 3cos | NAD | Alcohol dehydrogenase 4 | 1.1.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3cos | NAD | Alcohol dehydrogenase 4 | 1.1.1.1 | 1.000 | |
| 3jv7 | NAD | Secondary alcohol dehydrogenase | / | 0.484 | |
| 4rqu | NAD | Alcohol dehydrogenase class-P | / | 0.483 | |
| 1het | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.476 | |
| 1mp0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.475 | |
| 1ht0 | NAD | Alcohol dehydrogenase 1C | 1.1.1.1 | 0.469 | |
| 1e3l | NAD | Alcohol dehydrogenase 4 | 1.1.1.1 | 0.468 | |
| 1e3e | NAI | Alcohol dehydrogenase 4 | 1.1.1.1 | 0.464 | |
| 5kj6 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.459 | |
| 4jji | NAD | Alcohol dehydrogenase class-3 | / | 0.455 | |
| 1ma0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.452 | |
| 4xd2 | NAI | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.452 | |
| 5kjc | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.452 | |
| 2fzw | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.451 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.451 | |
| 2fze | APR | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.450 | |
| 4c4o | NAD | SADH | / | 0.447 | |
| 4dlb | NAD | S-(hydroxymethyl)glutathione dehydrogenase | / | 0.447 | |
| 5cdg | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.446 | |
| 2xaa | NAD | Secondary alcohol dehydrogenase | / | 0.441 | |
| 3oq6 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 |