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 |
|---|---|---|---|
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.695 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.660 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.631 | |
| 3cse | N22 | Uncharacterized protein | / | 0.627 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.624 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.620 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.616 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.615 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.612 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.610 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.606 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.605 | |
| 3qly | 55V | Uncharacterized protein | / | 0.603 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.600 | |
| 3eem | 53V | Uncharacterized protein | / | 0.597 | |
| 3eej | 53R | Uncharacterized protein | / | 0.595 | |
| 3eel | 53T | Uncharacterized protein | / | 0.592 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.592 | |
| 3eek | 53S | Uncharacterized protein | / | 0.591 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.588 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.586 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.579 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.578 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.577 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.575 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.574 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.572 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.572 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.568 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.567 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.566 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.565 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.561 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.561 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.560 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.554 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.554 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.554 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.553 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.550 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.549 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.548 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.548 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.548 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.545 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.544 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.543 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.541 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.541 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.540 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.540 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.536 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.535 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.532 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.531 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.529 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.529 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.528 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.526 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.526 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.526 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.525 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.523 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.522 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.517 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.516 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.516 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.513 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.512 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.511 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 3sai | 9DR | Dihydrofolate reductase | / | 0.511 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.508 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.506 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.506 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.505 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 3dat | MTX | Dihydrofolate reductase | / | 0.503 | |
| 1qzf | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.502 | |
| 1tdr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 3jwc | EKB | Dihydrofolate reductase | / | 0.502 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.500 | |
| 3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.500 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.499 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.499 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.498 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.497 | |
| 3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.495 | |
| 4ele | 31I | Dihydrofolate reductase | / | 0.495 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.493 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 3rg9 | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.490 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.489 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 4kjj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 4elb | 34S | Dihydrofolate reductase | / | 0.483 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.483 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 7dfr | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 3eig | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.482 | |
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 4elg | 52J | Dihydrofolate reductase | / | 0.481 | |
| 5ccc | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 1kmv | LII | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 3frf | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 1rc4 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 3r33 | 6ME | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 2w3w | VG9 | Dihydrofolate reductase | / | 0.471 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 3nxr | D2D | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 3srr | Q20 | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 1jom | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.469 | |
| 3fl8 | RAR | Dihydrofolate reductase | / | 0.468 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 3nxv | D2F | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 3srs | M23 | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.466 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.464 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 3srw | Q27 | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 4iui | 1GQ | Estrogen receptor | / | 0.460 | |
| 1kzj | CB3 | Thymidylate synthase | / | 0.459 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 3hbb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.459 | |
| 4nb6 | 444 | Nuclear receptor ROR-gamma | / | 0.459 | |
| 1rx8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1xdu | SFG | Aclacinomycin 10-hydroxylase RdmB | 4.1.1 | 0.458 | |
| 2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1err | RAL | Estrogen receptor | / | 0.457 | |
| 1rg7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 4ddr | MMV | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 1dyr | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.454 | |
| 3gi2 | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.453 | |
| 3w9r | A8S | Abscisic acid receptor PYL9 | / | 0.453 | |
| 2bxm | IMN | Serum albumin | / | 0.452 | |
| 2hm9 | TRR | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 1nce | CB3 | Thymidylate synthase | / | 0.451 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3h1j | SMA | Cytochrome b | / | 0.451 | |
| 3i8a | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3ngl | NAP | Bifunctional protein FolD | / | 0.450 | |
| 3sru | Q26 | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 5ecc | NAP | Dehydrofolate reductase type I | / | 0.450 | |
| 5hi6 | MTX | Dihydrofolate reductase | / | 0.450 | |
| 2tsc | CB3 | Thymidylate synthase | / | 0.449 | |
| 3ql3 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1dna | CB3 | Thymidylate synthase | / | 0.448 | |
| 1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 4iv2 | 1GR | Estrogen receptor | / | 0.448 | |
| 4rup | H97 | Vitamin D3 receptor A | / | 0.448 | |
| 4ea3 | 0NN | Nociceptin receptor | / | 0.448 | |
| 1m13 | HYF | Nuclear receptor subfamily 1 group I member 2 | / | 0.447 | |
| 3lfc | Z86 | Mitogen-activated protein kinase 14 | / | 0.446 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.446 | |
| 4fgh | 0U6 | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 1bzf | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 2w3a | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 2zb4 | 5OP | Prostaglandin reductase 2 | 1.3.1.48 | 0.445 | |
| 1crb | RTL | Retinol-binding protein 1 | / | 0.444 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1k74 | 9CR | Retinoic acid receptor RXR-alpha | / | 0.443 | |
| 3m08 | RAR | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3mnr | SD1 | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 3v1s | 0LH | Strictosidine synthase | 4.3.3.2 | 0.443 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3fyv | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.442 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.442 | |
| 4ajm | 3A6 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 4g1n | NZT | Pyruvate kinase PKM | 2.7.1.40 | 0.442 | |
| 1n4h | REA | Nuclear receptor ROR-beta | / | 0.441 | |
| 3w5p | 4OA | Vitamin D3 receptor | / | 0.441 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.441 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.440 | |
| 3cx5 | SMA | Cytochrome b | / | 0.440 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.440 |