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 |
|---|---|---|---|
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 1.000 | |
| 1ics | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.531 | |
| 4tmb | FMN | Old yellow enzyme | / | 0.505 | |
| 3hgr | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.502 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.488 | |
| 3hgo | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.488 | |
| 1q45 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.486 | |
| 2q3r | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.473 | |
| 4rnv | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.473 | |
| 1vji | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.472 | |
| 1icq | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.468 | |
| 2hs8 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.468 | |
| 2abb | FMN | Pentaerythritol tetranitrate reductase | / | 0.457 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.454 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.449 | |
| 3hgs | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.447 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.443 | |
| 2hs6 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.442 | |
| 4rnu | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.440 |