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 |
|---|---|---|---|
| 4f6w | 0SS | Cyclin-dependent kinase 8 | 2.7.11.22 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4f6w | 0SS | Cyclin-dependent kinase 8 | 2.7.11.22 | 1.000 | |
| 4f7l | 0SO | Cyclin-dependent kinase 8 | 2.7.11.22 | 0.500 | |
| 4f70 | 0ST | Cyclin-dependent kinase 8 | 2.7.11.22 | 0.480 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.475 | |
| 1wwk | NAD | 307aa long hypothetical phosphoglycerate dehydrogenase | / | 0.458 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.457 | |
| 3h4l | ANP | DNA mismatch repair protein PMS1 | / | 0.457 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.457 | |
| 1adf | TAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.456 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.456 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.454 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.454 | |
| 5adh | APR | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.454 | |
| 2v59 | LZK | Biotin carboxylase | 6.3.4.14 | 0.451 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.449 | |
| 3gmd | 2M3 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.449 | |
| 1zxm | ANP | DNA topoisomerase 2-alpha | 5.99.1.3 | 0.443 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.443 | |
| 3b4y | F42 | F420-dependent glucose-6-phosphate dehydrogenase | / | 0.442 | |
| 3kb6 | NAD | D-lactate dehydrogenase | / | 0.442 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.442 | |
| 1cbq | RE9 | Cellular retinoic acid-binding protein 2 | / | 0.441 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.441 |