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 |
|---|---|---|---|
| 3t3r | 9PL | Cytochrome P450 2A6 | 1.14.13 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3t3r | 9PL | Cytochrome P450 2A6 | 1.14.13 | 1.000 | |
| 3t3q | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.599 | |
| 4ejh | 0QA | Cytochrome P450 2A13 | 1.14.14.1 | 0.590 | |
| 4ejg | NCT | Cytochrome P450 2A13 | 1.14.14.1 | 0.557 | |
| 4eji | 0QA | Cytochrome P450 2A13 | 1.14.14.1 | 0.512 | |
| 3ibd | CPZ | Cytochrome P450 2B6 | 1.14.13 | 0.502 | |
| 3tk3 | CPZ | Cytochrome P450 2B4 | 1.14.14.1 | 0.490 | |
| 1suo | CPZ | Cytochrome P450 2B4 | 1.14.14.1 | 0.489 | |
| 3s79 | ASD | Aromatase | 1.14.14.14 | 0.477 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.466 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.461 | |
| 4c9o | CAM | Cytochrome P450 | / | 0.452 | |
| 4cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.449 | |
| 3ruk | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.446 | |
| 1phe | PIY | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.445 | |
| 3cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 1t85 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 2qbm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 4l4d | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 1iwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 4l4e | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 3wrm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 4enh | FVX | Cholesterol 24-hydroxylase | / | 0.440 | |
| 4g3r | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 |