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 |
---|---|---|---|
4e5o | UMP | Thymidylate synthase | 2.1.1.45 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
4e5o | UMP | Thymidylate synthase | 2.1.1.45 | 1.000 | |
4ein | NOH | Thymidylate synthase | 2.1.1.45 | 0.644 | |
4eb4 | UMP | Thymidylate synthase | 2.1.1.45 | 0.608 | |
4irr | UMP | Thymidylate synthase | / | 0.577 | |
5by6 | UMP | Thymidylate synthase | / | 0.577 | |
4dq1 | UMP | Thymidylate synthase | / | 0.575 | |
2g89 | UMP | Thymidylate synthase | / | 0.568 | |
4psg | NOH | Thymidylate synthase | / | 0.563 | |
1njc | DCM | Thymidylate synthase | / | 0.559 | |
3qj7 | UMP | Thymidylate synthase ThyA | / | 0.556 | |
1jmi | UMP | Thymidylate synthase | / | 0.553 | |
4h0u | UMP | Thymidylate synthase | / | 0.551 | |
1njd | UMP | Thymidylate synthase | / | 0.548 | |
3hb8 | UMP | Thymidylate synthase | 2.1.1.45 | 0.543 | |
4dpd | UMP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.543 | |
1bid | UMP | Thymidylate synthase | / | 0.542 | |
1tsv | UMP | Thymidylate synthase | / | 0.539 | |
2g8d | UMP | Thymidylate synthase | / | 0.538 | |
3dga | UMP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.537 | |
1bp6 | UMP | Thymidylate synthase | / | 0.536 | |
2g86 | UMP | Thymidylate synthase | / | 0.535 | |
4xsd | UMP | Thymidylate synthase | 2.1.1.45 | 0.532 | |
1njb | UMP | Thymidylate synthase | / | 0.530 | |
1thy | UMP | Thymidylate synthase | / | 0.529 | |
1bdu | DUR | Thymidylate synthase | / | 0.524 | |
3dg8 | UMP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.520 | |
1ddu | DDU | Thymidylate synthase | / | 0.519 | |
1jmh | UMP | Thymidylate synthase | / | 0.519 | |
1tsy | UMP | Thymidylate synthase | / | 0.516 | |
1jmg | UMP | Thymidylate synthase | / | 0.514 | |
1ddu | CB3 | Thymidylate synthase | / | 0.511 | |
1nje | DCM | Thymidylate synthase | / | 0.511 | |
1bp0 | UMP | Thymidylate synthase | / | 0.507 | |
1ci7 | UMP | Thymidylate synthase | 2.1.1.45 | 0.507 | |
1tsx | UMP | Thymidylate synthase | / | 0.507 | |
4fog | C2F | Thymidylate synthase ThyA | / | 0.501 | |
2vet | UMP | Thymidylate synthase | / | 0.497 | |
1nja | DCM | Thymidylate synthase | / | 0.496 | |
4ez8 | DHF | Thymidylate synthase | 2.1.1.45 | 0.495 | |
1f4e | TPR | Thymidylate synthase | / | 0.493 | |
2tdd | THF | Thymidylate synthase | / | 0.492 | |
1bpj | UMP | Thymidylate synthase | / | 0.489 | |
3bhr | THG | Thymidylate synthase | / | 0.489 | |
2vf0 | F89 | Thymidylate synthase | / | 0.486 | |
1an5 | CB3 | Thymidylate synthase | / | 0.477 | |
1vza | UMP | Thymidylate synthase | / | 0.471 | |
4lrr | CF9 | Thymidylate synthase | / | 0.471 | |
2tsr | UMP | Thymidylate synthase | 2.1.1.45 | 0.469 | |
1lcb | TMP | Thymidylate synthase | / | 0.468 | |
3bgx | TMP | Thymidylate synthase | / | 0.465 | |
4isk | UMP | Thymidylate synthase | / | 0.464 | |
1lcb | DHF | Thymidylate synthase | / | 0.462 | |
1tdc | UMP | Thymidylate synthase | / | 0.461 | |
3bgx | MEF | Thymidylate synthase | / | 0.456 | |
4fox | UMP | Thymidylate synthase ThyA | / | 0.448 | |
4knz | CB3 | Thymidylate synthase | / | 0.447 | |
1vzd | CB3 | Thymidylate synthase | / | 0.446 | |
1f4f | TP3 | Thymidylate synthase | / | 0.445 | |
1fwm | CB3 | Thymidylate synthase | / | 0.445 | |
1j3j | UMP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.442 | |
1tdu | DUR | Thymidylate synthase | / | 0.440 |