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 |
|---|---|---|---|
| 1fd0 | 254 | Retinoic acid receptor gamma |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1fd0 | 254 | Retinoic acid receptor gamma | / | 1.000 | |
| 1fcx | 184 | Retinoic acid receptor gamma | / | 0.696 | |
| 2lbd | REA | Retinoic acid receptor gamma | / | 0.619 | |
| 4dm8 | REA | Retinoic acid receptor beta | / | 0.617 | |
| 4dm6 | TTB | Retinoic acid receptor beta | / | 0.609 | |
| 1exa | 394 | Retinoic acid receptor gamma | / | 0.595 | |
| 1fcy | 564 | Retinoic acid receptor gamma | / | 0.595 | |
| 1xdk | REA | Retinoic acid receptor beta | / | 0.551 | |
| 3ox4 | NAD | Alcohol dehydrogenase 2 | 1.1.1.1 | 0.479 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.478 | |
| 3byz | H11 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.478 | |
| 3jyn | NDP | Quinone oxidoreductase | / | 0.478 | |
| 2cul | FAD | GidA-related protein | / | 0.476 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 1iyz | NDP | Probable quinone oxidoreductase | / | 0.471 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 2hm9 | TRR | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 2qo4 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.468 | |
| 3pm9 | FAD | Putative oxidoreductase | / | 0.468 | |
| 4elb | 34R | Dihydrofolate reductase | / | 0.468 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.467 | |
| 1q5d | EPB | Epothilone C/D epoxidase | 1.14 | 0.466 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.466 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.465 | |
| 4elf | 35I | Dihydrofolate reductase | / | 0.465 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.464 | |
| 1xuo | LA1 | Integrin alpha-L | / | 0.462 | |
| 3t8x | T8X | T-cell surface glycoprotein CD1b | / | 0.462 | |
| 4gi2 | NAP | Crotonyl-CoA carboxylase/reductase | / | 0.462 | |
| 3is9 | AC7 | Gag-Pol polyprotein | 2.7.7.49 | 0.461 | |
| 2qd5 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.460 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 1s7g | NAD | NAD-dependent protein deacylase 2 | / | 0.458 | |
| 2lf1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 2vna | NAP | Prostaglandin reductase 2 | 1.3.1.48 | 0.457 | |
| 3fmz | 2T1 | Retinol-binding protein 4 | / | 0.457 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 2bxo | OPB | Serum albumin | / | 0.456 | |
| 2dvl | FAD | Acyl-CoA dehydrogenase | / | 0.456 | |
| 3aba | FLI | Cytochrome P450 | / | 0.456 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.455 | |
| 3fco | IIG | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.455 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.455 | |
| 2q4w | FAD | Cytokinin dehydrogenase 7 | 1.5.99.12 | 0.454 | |
| 3dl9 | V2H | Vitamin D 25-hydroxylase | / | 0.454 | |
| 3fl9 | TOP | Dihydrofolate reductase | / | 0.454 | |
| 2prh | 238 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1.3.5.2 | 0.453 | |
| 3gmd | 2M3 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.453 | |
| 1j3k | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.452 | |
| 3mg3 | ECH | Orange carotenoid-binding protein | / | 0.452 | |
| 3up5 | NAP | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.452 | |
| 4klr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.452 | |
| 1dis | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.451 | |
| 3irx | UDR | Gag-Pol polyprotein | 2.7.7.49 | 0.451 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.451 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 2ntj | P1H | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 2qo6 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.448 | |
| 5emh | NAP | Iridoid synthase | 1.3.1.99 | 0.448 | |
| 1fel | FEN | Retinol-binding protein 4 | / | 0.447 | |
| 3ibd | CPZ | Cytochrome P450 2B6 | 1.14.13 | 0.447 | |
| 1d3h | A26 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1.3.5.2 | 0.446 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.446 | |
| 3ua5 | 06X | Cytochrome P450 2B6 | 1.14.13 | 0.446 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3bxx | QUE | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.445 | |
| 4b1f | KRH | Glutamate racemase | / | 0.445 | |
| 4isk | 1JY | Thymidylate synthase | / | 0.445 | |
| 4kl9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1ezf | IN0 | Squalene synthase | 2.5.1.21 | 0.444 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4fc0 | 0T2 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.444 | |
| 1fdu | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.443 | |
| 2ewp | TXF | Estrogen-related receptor gamma | / | 0.443 | |
| 2fon | FAD | Acyl-coenzyme A oxidase | / | 0.443 | |
| 5cto | NTD | 4-hydroxyphenylpyruvate dioxygenase | 1.13.11.27 | 0.443 | |
| 1f8g | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.442 | |
| 1ot7 | CHC | Bile acid receptor | / | 0.442 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1xu7 | CPS | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.441 | |
| 2bxi | AZQ | Serum albumin | / | 0.441 | |
| 2bxn | IDB | Serum albumin | / | 0.441 | |
| 2uxx | FAJ | Lysine-specific histone demethylase 1A | 1 | 0.441 | |
| 3sgv | 2BJ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.441 | |
| 3w8w | FAD | Putative FAD-dependent oxygenase EncM | / | 0.441 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.441 | |
| 2p1t | 3TN | Retinoic acid receptor RXR-alpha | / | 0.440 | |
| 2xc3 | RT8 | Steroid C26-monooxygenase | 1.14.13.141 | 0.440 | |
| 3g49 | 3G4 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 | |
| 4bb5 | HD2 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 |