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 |
---|---|---|---|
1dls | MTX | Dihydrofolate reductase | 1.5.1.3 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
1dls | MTX | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.576 | |
2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.544 | |
4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.537 | |
1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.535 | |
4m6k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.533 | |
3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.526 | |
3gi2 | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.520 | |
4kfj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.506 | |
1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.501 | |
1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
3nu0 | 3TU | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.462 | |
3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.449 | |
3k45 | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.447 |