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 |
---|---|---|---|
4psg | NOH | Thymidylate synthase |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
4psg | NOH | Thymidylate synthase | / | 1.000 | |
4irr | UMP | Thymidylate synthase | / | 0.574 | |
4eb4 | UMP | Thymidylate synthase | 2.1.1.45 | 0.569 | |
5by6 | UMP | Thymidylate synthase | / | 0.556 | |
3qj7 | UMP | Thymidylate synthase ThyA | / | 0.554 | |
4e5o | UMP | Thymidylate synthase | 2.1.1.45 | 0.546 | |
4h0u | UMP | Thymidylate synthase | / | 0.546 | |
1bid | UMP | Thymidylate synthase | / | 0.523 | |
3dg8 | UMP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.521 | |
4xsd | UMP | Thymidylate synthase | 2.1.1.45 | 0.520 | |
3hb8 | UMP | Thymidylate synthase | 2.1.1.45 | 0.516 | |
1ci7 | UMP | Thymidylate synthase | 2.1.1.45 | 0.512 | |
3dga | UMP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.510 | |
4ein | NOH | Thymidylate synthase | 2.1.1.45 | 0.509 | |
1tsx | UMP | Thymidylate synthase | / | 0.508 | |
2g86 | UMP | Thymidylate synthase | / | 0.507 | |
1jmg | UMP | Thymidylate synthase | / | 0.498 | |
4dpd | UMP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.493 | |
1nja | DCM | Thymidylate synthase | / | 0.489 | |
1aob | DDU | Thymidylate synthase | / | 0.488 | |
1bp6 | UMP | Thymidylate synthase | / | 0.486 | |
1njb | UMP | Thymidylate synthase | / | 0.486 | |
2g89 | UMP | Thymidylate synthase | / | 0.486 | |
1bdu | DUR | Thymidylate synthase | / | 0.478 | |
1an5 | CB3 | Thymidylate synthase | / | 0.477 | |
1f4e | TPR | Thymidylate synthase | / | 0.476 | |
4dq1 | UMP | Thymidylate synthase | / | 0.474 | |
1vzd | CB3 | Thymidylate synthase | / | 0.473 | |
2vet | UMP | Thymidylate synthase | / | 0.465 | |
1vzb | UMP | Thymidylate synthase | / | 0.464 | |
1jmh | UMP | Thymidylate synthase | / | 0.463 | |
1njd | UMP | Thymidylate synthase | / | 0.463 | |
3bgx | TMP | Thymidylate synthase | / | 0.462 | |
1tsv | UMP | Thymidylate synthase | / | 0.461 | |
1njc | DCM | Thymidylate synthase | / | 0.460 | |
1thy | UMP | Thymidylate synthase | / | 0.460 | |
1ddu | DDU | Thymidylate synthase | / | 0.456 | |
1jmi | UMP | Thymidylate synthase | / | 0.454 | |
1tsy | UMP | Thymidylate synthase | / | 0.453 | |
4fog | C2F | Thymidylate synthase ThyA | / | 0.451 | |
1nje | DCM | Thymidylate synthase | / | 0.449 | |
3bgx | MEF | Thymidylate synthase | / | 0.447 | |
4fox | UMP | Thymidylate synthase ThyA | / | 0.447 | |
1lcb | TMP | Thymidylate synthase | / | 0.444 | |
4lrr | CF9 | Thymidylate synthase | / | 0.443 | |
3bhl | THG | Thymidylate synthase | / | 0.442 | |
1lcb | DHF | Thymidylate synthase | / | 0.440 |