sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 1.000 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.588 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.563 | |
| 3qly | 55V | Uncharacterized protein | / | 0.559 | |
| 3eek | 53S | Uncharacterized protein | / | 0.546 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.544 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.541 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.537 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.536 | |
| 3cse | N22 | Uncharacterized protein | / | 0.531 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.528 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.526 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 3eej | 53R | Uncharacterized protein | / | 0.525 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.525 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.524 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.522 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.516 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.514 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.512 | |
| 3eem | 53V | Uncharacterized protein | / | 0.512 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.506 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.505 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.496 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.495 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.491 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.479 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.477 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.475 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.473 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 3eel | 53T | Uncharacterized protein | / | 0.468 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.467 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.466 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.464 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.461 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 3nxy | D2H | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.459 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.459 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.458 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 3gi2 | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.453 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3nxv | D2F | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 5dc5 | B3N | Histone deacetylase 8 | 3.5.1.98 | 0.450 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 4qa0 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.448 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.447 | |
| 3ezp | B3N | Histone deacetylase 8 | 3.5.1.98 | 0.447 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.447 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.447 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.445 | |
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4bb6 | HD1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.442 | |
| 3nxr | D2D | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.441 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.440 |