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 |
|---|---|---|---|
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 3qly | 55V | Uncharacterized protein | / | 0.623 | |
| 3cse | N22 | Uncharacterized protein | / | 0.622 | |
| 3eek | 53S | Uncharacterized protein | / | 0.612 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.609 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.605 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.602 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.599 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.590 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.586 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.585 | |
| 3eej | 53R | Uncharacterized protein | / | 0.584 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.583 | |
| 3eel | 53T | Uncharacterized protein | / | 0.581 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.581 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.578 | |
| 3eem | 53V | Uncharacterized protein | / | 0.578 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.578 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.571 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.568 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.567 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.564 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.564 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.562 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.562 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.561 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.560 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.559 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.558 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.558 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.556 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.554 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.554 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.547 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.546 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.545 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.540 | |
| 1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.538 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.537 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.537 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.536 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.535 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.534 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.533 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.531 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.531 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.526 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.523 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.522 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.521 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.519 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.518 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.517 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.515 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.514 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.514 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.513 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.511 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.511 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.508 | |
| 3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.502 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.495 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.493 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.489 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.487 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 4ele | 31I | Dihydrofolate reductase | / | 0.483 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.476 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.474 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.474 | |
| 3jwc | EKB | Dihydrofolate reductase | / | 0.473 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.473 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 3dg8 | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.470 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 2w3w | VG9 | Dihydrofolate reductase | / | 0.468 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.467 | |
| 4ek1 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.467 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.465 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 1dg8 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 1dz6 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.461 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 3fl8 | RAR | Dihydrofolate reductase | / | 0.460 | |
| 3nxv | D2F | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.456 | |
| 1iwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.455 | |
| 1j3j | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.455 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.455 | |
| 3wrl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.455 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 5ccc | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 2cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.453 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.453 | |
| 3fwf | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.452 | |
| 3lxi | CAM | Cytochrome P450 | / | 0.452 | |
| 3tky | N7I | (Iso)eugenol O-methyltransferase | 2.1.1.146 | 0.452 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.452 | |
| 1phg | MYT | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 1t87 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 1t88 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 1uyu | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.451 | |
| 6cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1t86 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.450 | |
| 2m56 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.450 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 3r33 | 6ME | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.449 | |
| 3wrm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.449 | |
| 4j03 | FVS | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.448 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.448 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 2feu | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 4l4b | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 1yrd | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.445 | |
| 2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 2z97 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 3fwi | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.445 | |
| 1dz4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 1yin | CM3 | Estrogen receptor | / | 0.444 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3l63 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 3nj0 | PYV | Abscisic acid receptor PYL2 | / | 0.444 | |
| 4elb | 34R | Dihydrofolate reductase | / | 0.444 | |
| 4ib4 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.444 | |
| 4kky | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.443 | |
| 3fwg | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 3jw3 | TOP | Dihydrofolate reductase | / | 0.443 | |
| 4ia2 | BIV | Vitamin D3 receptor A | / | 0.443 | |
| 4kjj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.442 | |
| 4bch | T7Z | Cyclin-dependent kinase 9 | 2.7.11.22 | 0.442 | |
| 1mp0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.441 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.441 | |
| 3wrj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 5ai5 | BSU | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.441 | |
| 7dfr | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1iwi | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 1qkn | RAL | Estrogen receptor beta | / | 0.440 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.440 | |
| 3koo | 24D | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.440 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3u8h | BHP | Phospholipase A2, membrane associated | / | 0.440 | |
| 4l49 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 |