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 |
|---|---|---|---|
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.573 | |
| 3cse | N22 | Uncharacterized protein | / | 0.557 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.556 | |
| 3eek | 53S | Uncharacterized protein | / | 0.554 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.548 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.547 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.545 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.542 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.541 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.540 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.539 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.534 | |
| 3qly | 55V | Uncharacterized protein | / | 0.532 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.529 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.527 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.527 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.527 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.526 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.526 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.524 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.523 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.522 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.521 | |
| 3eej | 53R | Uncharacterized protein | / | 0.521 | |
| 3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.521 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.517 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.517 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.516 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.516 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.516 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.513 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.512 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.511 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.507 | |
| 3eem | 53V | Uncharacterized protein | / | 0.506 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.505 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.505 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 3eel | 53T | Uncharacterized protein | / | 0.503 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.501 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.498 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.496 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.494 | |
| 3jwc | EKB | Dihydrofolate reductase | / | 0.494 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.494 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.493 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.492 | |
| 3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 3frf | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.486 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.486 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 3fyv | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.478 | |
| 1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 3srr | Q20 | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.472 | |
| 3m08 | RAR | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 3sru | Q26 | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.468 | |
| 3fl8 | RAR | Dihydrofolate reductase | / | 0.468 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.467 | |
| 3dat | MTX | Dihydrofolate reductase | / | 0.467 | |
| 3srw | Q27 | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.467 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.464 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.464 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.463 | |
| 2w9g | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 4elb | 34S | Dihydrofolate reductase | / | 0.462 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.460 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1tdr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 4fgh | 0U6 | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.452 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.452 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.452 | |
| 4ele | 31I | Dihydrofolate reductase | / | 0.452 | |
| 2acw | UPG | Glycosyltransferase | / | 0.451 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.450 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.450 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 3jw3 | TOP | Dihydrofolate reductase | / | 0.447 | |
| 1ek2 | CDU | Bifunctional epoxide hydrolase 2 | / | 0.445 | |
| 2qbn | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.445 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.441 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3gfb | NAD | L-threonine 3-dehydrogenase | / | 0.440 | |
| 7dfr | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 |