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 |
---|---|---|---|
1err | RAL | Estrogen receptor |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
1err | RAL | Estrogen receptor | / | 1.000 | |
1yin | CM3 | Estrogen receptor | / | 0.583 | |
1xqc | AEJ | Estrogen receptor | / | 0.557 | |
1sj0 | E4D | Estrogen receptor | / | 0.544 | |
1xp6 | AIU | Estrogen receptor | / | 0.520 | |
2jf9 | OHT | Estrogen receptor | / | 0.516 | |
1uom | PTI | Estrogen receptor | / | 0.510 | |
1qkn | RAL | Estrogen receptor beta | / | 0.500 | |
1nde | MON | Estrogen receptor beta | / | 0.489 | |
2jfa | RAL | Estrogen receptor | / | 0.484 | |
2gpv | OHT | Estrogen-related receptor gamma | / | 0.473 | |
2pog | WST | Estrogen receptor | / | 0.473 | |
1zga | HMK | Isoflavone 4'-O-methyltransferase | / | 0.470 | |
2bj4 | OHT | Estrogen receptor | / | 0.464 | |
4ubs | DIF | Pentalenic acid synthase | 1.14.15.11 | 0.457 | |
2qe4 | JJ3 | Estrogen receptor | / | 0.456 | |
2fsz | OHT | Estrogen receptor beta | / | 0.455 | |
4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
4iv4 | 1GS | Estrogen receptor | / | 0.454 | |
2p7z | OHT | Estrogen-related receptor gamma | / | 0.452 | |
3bfa | 9OD | Odorant binding protein ASP1 | / | 0.451 | |
4ivw | 1GJ | Estrogen receptor | / | 0.450 | |
2z7g | EH9 | Adenosine deaminase | 3.5.4.4 | 0.448 | |
3bfb | 9OD | Pheromone-binding protein ASP1 | / | 0.448 | |
3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.446 | |
3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.446 | |
3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
4z9g | 1Q5 | Corticotropin-releasing factor receptor 1 | / | 0.444 | |
1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
2acw | UPG | Glycosyltransferase | / | 0.441 | |
1eio | GCH | Gastrotropin | / | 0.440 |