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 |
|---|---|---|---|
| 1pd8 | CO4 | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1pd8 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.727 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.685 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.642 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.615 | |
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 | 0.600 | |
| 1dlr | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.599 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.596 | |
| 1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.594 | |
| 3nxt | D2E | Dihydrofolate reductase | 1.5.1.3 | 0.594 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.590 | |
| 1s3u | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.590 | |
| 1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.586 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.582 | |
| 4ddr | MMV | Dihydrofolate reductase | 1.5.1.3 | 0.581 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.571 | |
| 3gi2 | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.568 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.568 | |
| 1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.565 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.564 | |
| 1s3w | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.563 | |
| 3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.563 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.560 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.560 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.559 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.558 | |
| 3nxv | D2F | Dihydrofolate reductase | 1.5.1.3 | 0.557 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.557 | |
| 3nxy | D2H | Dihydrofolate reductase | 1.5.1.3 | 0.552 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.550 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.549 | |
| 3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.548 | |
| 3nxo | D2B | Dihydrofolate reductase | 1.5.1.3 | 0.547 | |
| 1kmv | LII | Dihydrofolate reductase | 1.5.1.3 | 0.544 | |
| 4qjc | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.543 | |
| 1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.541 | |
| 4m6k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.541 | |
| 3nxr | D2D | Dihydrofolate reductase | 1.5.1.3 | 0.538 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.538 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.531 | |
| 3s7a | 684 | Dihydrofolate reductase | 1.5.1.3 | 0.529 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.527 | |
| 2w3a | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 3k45 | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.524 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.520 | |
| 3qly | 55V | Uncharacterized protein | / | 0.513 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.504 | |
| 3cse | N22 | Uncharacterized protein | / | 0.503 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.502 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 4kfj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.492 | |
| 4qa0 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.490 | |
| 1dr4 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.485 | |
| 3eon | 341 | Glutaryl-CoA dehydrogenase | / | 0.483 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 1yho | TRR | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.477 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.472 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.472 | |
| 3eig | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 1o6q | R17 | Squalene--hopene cyclase | 4.2.1.129 | 0.470 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 1vrq | FON | Subunit alpha of sarocosine oxidase | / | 0.467 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.467 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.465 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.465 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 1zq5 | E04 | Aldo-keto reductase family 1 member C3 | / | 0.464 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.464 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.463 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.463 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.460 | |
| 3eej | 53R | Uncharacterized protein | / | 0.460 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 1mcz | RMN | Benzoylformate decarboxylase | 4.1.1.7 | 0.459 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.459 | |
| 3nu0 | 3TU | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1u70 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 3eel | 53T | Uncharacterized protein | / | 0.457 | |
| 1ry8 | RUT | Aldo-keto reductase family 1 member C3 | / | 0.455 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.455 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.454 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1y2e | 5DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
| 1ej3 | CZH | Aequorin-2 | / | 0.452 | |
| 1dls | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.451 | |
| 3uza | T4G | Adenosine receptor A2a | / | 0.451 | |
| 1mcz | TDP | Benzoylformate decarboxylase | 4.1.1.7 | 0.450 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.450 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.450 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.449 | |
| 1h35 | R01 | Squalene--hopene cyclase | 4.2.1.129 | 0.448 | |
| 2nxe | SAM | Ribosomal protein L11 methyltransferase | 2.1.1 | 0.448 | |
| 3eek | 53S | Uncharacterized protein | / | 0.448 | |
| 1w22 | NHB | Histone deacetylase 8 | 3.5.1.98 | 0.447 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.447 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 4muw | 2F4 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.447 | |
| 1zkn | IBM | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.446 | |
| 4qa2 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.446 | |
| 1oyn | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
| 3ox3 | 4X4 | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.445 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.444 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
| 2ovv | PFH | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.443 | |
| 4dbs | 0HV | Aldo-keto reductase family 1 member C3 | / | 0.443 | |
| 4hmn | 16J | Aldo-keto reductase family 1 member C3 | / | 0.443 | |
| 1u71 | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 4g1n | NZT | Pyruvate kinase PKM | 2.7.1.40 | 0.442 | |
| 4hf4 | 15H | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 1z4i | UMP | 5'(3')-deoxyribonucleotidase, mitochondrial | 3.1.3 | 0.441 | |
| 4ajf | F03 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
| 1frb | ZST | Aldose reductase-related protein 2 | / | 0.440 | |
| 3bv7 | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.440 | |
| 3hbf | MYC | Flavonoid 3-O-glucosyltransferase | 2.4.1 | 0.440 | |
| 3nhf | VVV | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.440 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.440 |