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 |
---|---|---|---|
1nje | DCM | Thymidylate synthase |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
1nje | DCM | Thymidylate synthase | / | 1.000 | |
2g89 | UMP | Thymidylate synthase | / | 0.541 | |
1tsy | UMP | Thymidylate synthase | / | 0.540 | |
1njd | UMP | Thymidylate synthase | / | 0.533 | |
1jmg | UMP | Thymidylate synthase | / | 0.517 | |
2g86 | UMP | Thymidylate synthase | / | 0.517 | |
2g8a | UMP | Thymidylate synthase | / | 0.509 | |
1njb | UMP | Thymidylate synthase | / | 0.501 | |
1vzb | UMP | Thymidylate synthase | / | 0.473 | |
2tdm | UMP | Thymidylate synthase | / | 0.468 | |
1thy | UMP | Thymidylate synthase | / | 0.454 | |
1nja | DCM | Thymidylate synthase | / | 0.452 |