sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
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 |
|---|---|---|---|
| 1exa | 394 | Retinoic acid receptor gamma |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1exa | 394 | Retinoic acid receptor gamma | / | 1.000 | |
| 1fcx | 184 | Retinoic acid receptor gamma | / | 0.732 | |
| 1fcy | 564 | Retinoic acid receptor gamma | / | 0.699 | |
| 4dm8 | REA | Retinoic acid receptor beta | / | 0.624 | |
| 1fd0 | 254 | Retinoic acid receptor gamma | / | 0.597 | |
| 4dm6 | TTB | Retinoic acid receptor beta | / | 0.592 | |
| 2lbd | REA | Retinoic acid receptor gamma | / | 0.577 | |
| 1xdk | REA | Retinoic acid receptor beta | / | 0.565 | |
| 3jyn | NDP | Quinone oxidoreductase | / | 0.478 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.462 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.462 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.461 | |
| 2vna | NAP | Prostaglandin reductase 2 | 1.3.1.48 | 0.460 | |
| 4elf | 35I | Dihydrofolate reductase | / | 0.458 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.456 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 1iyz | NDP | Probable quinone oxidoreductase | / | 0.454 | |
| 2xkc | 4VQ | Serine/threonine-protein kinase Nek2 | 2.7.11.1 | 0.454 | |
| 4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.454 | |
| 2q4w | FAD | Cytokinin dehydrogenase 7 | 1.5.99.12 | 0.453 | |
| 3aba | FLI | Cytochrome P450 | / | 0.453 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 4elb | 34R | Dihydrofolate reductase | / | 0.452 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.451 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.446 | |
| 2e48 | FAD | D-amino-acid oxidase | 1.4.3.3 | 0.446 | |
| 2hm9 | TRR | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 4gi2 | NAP | Crotonyl-CoA carboxylase/reductase | / | 0.446 | |
| 5emh | NAP | Iridoid synthase | 1.3.1.99 | 0.446 | |
| 3irx | UDR | Gag-Pol polyprotein | 2.7.7.49 | 0.445 | |
| 4cjx | 9L9 | C-1-tetrahydrofolate synthase, cytoplasmic, putative | / | 0.445 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.445 | |
| 1zdw | FLV | Prenyltransferase | / | 0.444 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.444 | |
| 1fdu | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.443 | |
| 2w98 | P1Z | Prostaglandin reductase 2 | 1.3.1.48 | 0.443 | |
| 3is9 | AC7 | Gag-Pol polyprotein | 2.7.7.49 | 0.443 | |
| 3t8x | T8X | T-cell surface glycoprotein CD1b | / | 0.443 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 5dcy | NAP | Iridoid synthase | 1.3.1.99 | 0.442 | |
| 1yc2 | NAD | NAD-dependent protein deacylase 2 | / | 0.441 | |
| 2rjp | 886 | A disintegrin and metalloproteinase with thrombospondin motifs 4 | 3.4.24.82 | 0.441 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.441 | |
| 3fl9 | TOP | Dihydrofolate reductase | / | 0.440 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.440 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.440 |