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 |
|---|---|---|---|
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.691 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.634 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.622 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.622 | |
| 1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.613 | |
| 3qly | 55V | Uncharacterized protein | / | 0.605 | |
| 3eel | 53T | Uncharacterized protein | / | 0.597 | |
| 3cse | N22 | Uncharacterized protein | / | 0.588 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.583 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.582 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.581 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.576 | |
| 3eej | 53R | Uncharacterized protein | / | 0.567 | |
| 3eek | 53S | Uncharacterized protein | / | 0.567 | |
| 3eem | 53V | Uncharacterized protein | / | 0.564 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.561 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.557 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.556 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.555 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.553 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.553 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.548 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.541 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.541 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.540 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.539 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.537 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.536 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.536 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.535 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.535 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.534 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.532 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.530 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.529 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.527 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.519 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.519 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.517 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.516 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.514 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.514 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.511 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.507 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.505 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.504 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.497 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.492 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.492 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.486 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.485 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.482 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.481 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.478 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 1kmv | LII | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 4ele | 31I | Dihydrofolate reductase | / | 0.474 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 3sru | Q26 | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.466 | |
| 4fgh | 0U6 | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3dat | MTX | Dihydrofolate reductase | / | 0.461 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.458 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.457 | |
| 3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 3ua5 | 06X | Cytochrome P450 2B6 | 1.14.13 | 0.454 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3frf | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.450 | |
| 2w9g | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4elf | 35I | Dihydrofolate reductase | / | 0.449 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 3srw | Q27 | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 1dis | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 3dmj | GWE | Pol protein | / | 0.446 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.446 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.446 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.446 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.445 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 2g2h | P16 | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.443 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.443 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1x2h | LPA | Lipoate-protein ligase A | 6.3.1.20 | 0.442 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.442 | |
| 5bt4 | 2LO | Bromodomain-containing protein 4 | / | 0.442 | |
| 1crb | RTL | Retinol-binding protein 1 | / | 0.441 | |
| 1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 4elb | 34S | Dihydrofolate reductase | / | 0.441 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.441 | |
| 1tdr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.440 |