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 |
|---|---|---|---|
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 1.000 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.626 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.618 | |
| 3eek | 53S | Uncharacterized protein | / | 0.615 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.611 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.602 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.601 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.597 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.596 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.594 | |
| 3qly | 55V | Uncharacterized protein | / | 0.577 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.575 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.565 | |
| 3eel | 53T | Uncharacterized protein | / | 0.563 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.562 | |
| 3eej | 53R | Uncharacterized protein | / | 0.561 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.561 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.561 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.560 | |
| 3cse | N22 | Uncharacterized protein | / | 0.560 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.558 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.557 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.553 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.553 | |
| 3dg8 | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.552 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.551 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.551 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.551 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.550 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.549 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.549 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.547 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.547 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.546 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.540 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.540 | |
| 3eem | 53V | Uncharacterized protein | / | 0.538 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.535 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.535 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.533 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.533 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.531 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.530 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.530 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.529 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.529 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.528 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.527 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.524 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.524 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.521 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.518 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.511 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.511 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.508 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.508 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.505 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.505 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.502 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.501 | |
| 3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 1qzf | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.493 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.492 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.492 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.491 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 3nxv | D2F | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.489 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.487 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 2w3a | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.477 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.477 | |
| 4kjj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.476 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.472 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.472 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.470 | |
| 3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.468 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.466 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.465 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 1j3k | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.463 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 3fy8 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 3sgy | 06W | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 1ek2 | CDU | Bifunctional epoxide hydrolase 2 | / | 0.460 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 3k45 | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 2w3w | VG9 | Dihydrofolate reductase | / | 0.458 | |
| 3jwc | EKB | Dihydrofolate reductase | / | 0.458 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.458 | |
| 7dfr | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 3nxr | D2D | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 3nxt | D2E | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 3sgv | 2BJ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.455 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.455 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.454 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3frf | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3gi2 | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3r33 | 6ME | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4fgh | 0U6 | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.450 | |
| 3srr | Q20 | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.450 | |
| 4fhb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 3sai | 9DR | Dihydrofolate reductase | / | 0.449 | |
| 3csd | EMO | Putative ketoacyl reductase | 1.3.1 | 0.448 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.446 | |
| 5ai5 | BSU | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.446 | |
| 1fml | RTL | Retinol dehydratase | / | 0.445 | |
| 3rg9 | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.445 | |
| 4kne | 1CY | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 4nb6 | 444 | Nuclear receptor ROR-gamma | / | 0.445 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.444 | |
| 3srw | Q27 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3srs | M23 | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.442 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.441 | |
| 3koo | 24D | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.441 | |
| 1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3sru | Q26 | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.440 | |
| 4ipw | 1G7 | Mycocyclosin synthase | 1.14.21.9 | 0.440 | |
| 4xwt | U5P | Ribonuclease J | / | 0.440 |