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 |
|---|---|---|---|
| 3ia4 | MTX | Dihydrofolate reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ia4 | MTX | Dihydrofolate reductase | / | 1.000 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.589 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.573 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.549 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.544 | |
| 3eel | 53T | Uncharacterized protein | / | 0.538 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.534 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.532 | |
| 2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.531 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.530 | |
| 3eek | 53S | Uncharacterized protein | / | 0.528 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.526 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 4ele | 31I | Dihydrofolate reductase | / | 0.525 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 3cse | N22 | Uncharacterized protein | / | 0.523 | |
| 3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.522 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.515 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.514 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.513 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.512 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.507 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.507 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.503 | |
| 3eem | 53V | Uncharacterized protein | / | 0.501 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.501 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.501 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.501 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.500 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.500 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.498 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.496 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.493 | |
| 3eej | 53R | Uncharacterized protein | / | 0.491 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.489 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.487 | |
| 3qly | 55V | Uncharacterized protein | / | 0.487 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 3r33 | 6ME | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 4elg | 52J | Dihydrofolate reductase | / | 0.484 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.483 | |
| 1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.482 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.479 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.478 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.470 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.470 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 2w3w | VG9 | Dihydrofolate reductase | / | 0.465 | |
| 1rd7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.463 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.462 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 3jwc | EKB | Dihydrofolate reductase | / | 0.459 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.459 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.458 | |
| 4kjj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.456 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.456 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.455 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.455 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.452 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 3dat | MTX | Dihydrofolate reductase | / | 0.451 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4cuk | NAI | D-lactate dehydrogenase | / | 0.448 | |
| 4j03 | FVS | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.448 | |
| 3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.445 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.445 | |
| 3i8a | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.445 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1ykd | CMP | Adenylate cyclase | / | 0.444 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.443 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
| 3sai | 9DR | Dihydrofolate reductase | / | 0.440 | |
| 4j0s | 1H3 | Bromodomain-containing protein 4 | / | 0.440 |