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 |
|---|---|---|---|
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 1.000 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.630 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.620 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.617 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.608 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.607 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.589 | |
| 3cse | N22 | Uncharacterized protein | / | 0.584 | |
| 3qly | 55V | Uncharacterized protein | / | 0.579 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.567 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.566 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.564 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.561 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.561 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.557 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.556 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.555 | |
| 3eek | 53S | Uncharacterized protein | / | 0.555 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.554 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.553 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.552 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.551 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.549 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.548 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.546 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.546 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.545 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.544 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.544 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.543 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.540 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.538 | |
| 3eem | 53V | Uncharacterized protein | / | 0.537 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.536 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.534 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.534 | |
| 3eej | 53R | Uncharacterized protein | / | 0.532 | |
| 3eel | 53T | Uncharacterized protein | / | 0.532 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.531 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.531 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.531 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.528 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.528 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.528 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.526 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.524 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.523 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.522 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.522 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.521 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.521 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.520 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.516 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.515 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.513 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.506 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.496 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.495 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.495 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.492 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.492 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.492 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.489 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.489 | |
| 3dg8 | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.488 | |
| 3eig | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.485 | |
| 5ccc | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.483 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.481 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 2w3a | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.478 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.477 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.474 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 5ai5 | BSU | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.474 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.469 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 3hbb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.467 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.467 | |
| 1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.465 | |
| 3rg9 | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.465 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 1j3k | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.463 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 3jwc | EKB | Dihydrofolate reductase | / | 0.463 | |
| 1dg8 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.461 | |
| 4gyz | D5M | Tyrosyl-DNA phosphodiesterase 2 | 3.1.4 | 0.461 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.461 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 3gc9 | B45 | Mitogen-activated protein kinase 11 | 2.7.11.24 | 0.460 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.457 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.457 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.455 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.455 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1s3w | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 2ktd | PUC | Prostaglandin-H2 D-isomerase | 5.3.99.2 | 0.453 | |
| 1kzj | CB3 | Thymidylate synthase | / | 0.452 | |
| 2lfo | GCH | Fatty acid-binding protein, liver | / | 0.452 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 3nxo | D2B | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 7dfr | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4j03 | FVS | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.451 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1tdr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.450 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.449 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 3nxt | D2E | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.447 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 3bfa | 9OD | Odorant binding protein ASP1 | / | 0.447 | |
| 3kpz | ZNE | Vitamin D3 receptor | / | 0.447 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 3sai | 9DR | Dihydrofolate reductase | / | 0.446 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3ql3 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3sru | Q26 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4ubs | DIF | Pentalenic acid synthase | 1.14.15.11 | 0.444 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.443 | |
| 3r33 | 6ME | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4elg | 52J | Dihydrofolate reductase | / | 0.443 | |
| 1qzf | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.442 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3hf6 | LX0 | Tryptophan 5-hydroxylase 1 | 1.14.16.4 | 0.442 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.442 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.442 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.440 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.440 | |
| 4elb | 34R | Dihydrofolate reductase | / | 0.440 | |
| 4kne | 1CY | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3uza | T4G | Adenosine receptor A2a | / | 0.440 |