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 |
|---|---|---|---|
| 3sai | 9DR | Dihydrofolate reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3sai | 9DR | Dihydrofolate reductase | / | 1.000 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.637 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.615 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.559 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.542 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.539 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.539 | |
| 3cse | N22 | Uncharacterized protein | / | 0.534 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.533 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.529 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.529 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.528 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.527 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.527 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.521 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.521 | |
| 4ele | 31I | Dihydrofolate reductase | / | 0.520 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.519 | |
| 3eek | 53S | Uncharacterized protein | / | 0.519 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.517 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.517 | |
| 3eem | 53V | Uncharacterized protein | / | 0.515 | |
| 3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.508 | |
| 3dat | MTX | Dihydrofolate reductase | / | 0.507 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.506 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.501 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.498 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.498 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
| 5ccc | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.495 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.493 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.492 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.491 | |
| 1tdr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.488 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 2qk8 | MTX | Dihydrofolate reductase | / | 0.487 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.487 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 3frf | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.481 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.480 | |
| 2w3w | VG9 | Dihydrofolate reductase | / | 0.480 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.480 | |
| 4fgh | 0U6 | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.479 | |
| 1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 4elb | 34S | Dihydrofolate reductase | / | 0.478 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.476 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.473 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 4x5i | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 1rx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.471 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.471 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.470 | |
| 4elb | 34R | Dihydrofolate reductase | / | 0.470 | |
| 5ecc | NAP | Dehydrofolate reductase type I | / | 0.470 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.469 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 3qly | 55V | Uncharacterized protein | / | 0.469 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 1lud | TRR | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 3fy8 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.467 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.467 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.466 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.465 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.465 | |
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 3sgy | 06W | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 3srs | M23 | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.464 | |
| 3ngl | NAP | Bifunctional protein FolD | / | 0.463 | |
| 1rx8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.461 | |
| 3sru | Q26 | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 4fjy | FJY | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.460 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.458 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.458 | |
| 1dyj | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 3sqy | Q11 | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.457 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.455 | |
| 2w9g | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.454 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 2wue | KEK | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | 3.7.1.17 | 0.452 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1rd7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3srr | Q20 | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3a14 | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.450 | |
| 3srw | Q27 | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3l8s | BFF | Mitogen-activated protein kinase 14 | / | 0.449 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 3fyv | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 3ql3 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.447 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.447 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3ns2 | PYV | Abscisic acid receptor PYL2 | / | 0.445 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.445 | |
| 3fwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4mv4 | ACP | Biotin carboxylase | 6.3.4.14 | 0.444 | |
| 1rc4 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.443 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.443 | |
| 4fhb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4kjj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 1dyi | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3m08 | RAR | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 5hi6 | MTX | Dihydrofolate reductase | / | 0.442 | |
| 7dfr | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.441 | |
| 2w3a | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.440 | |
| 2oci | TYC | Valacyclovir hydrolase | 3.1 | 0.440 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.440 | |
| 3a4p | DFQ | Hepatocyte growth factor receptor | 2.7.10.1 | 0.440 | |
| 3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.440 | |
| 4ia1 | BIV | Vitamin D3 receptor A | / | 0.440 |