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 |
|---|---|---|---|
| 2w3v | TOP | Dihydrofolate reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2w3v | TOP | Dihydrofolate reductase | / | 1.000 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.598 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.589 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.588 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.582 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.580 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.578 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.577 | |
| 3eek | 53S | Uncharacterized protein | / | 0.574 | |
| 3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.572 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.570 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.569 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.568 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.567 | |
| 3eel | 53T | Uncharacterized protein | / | 0.567 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.567 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.565 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.565 | |
| 3eej | 53R | Uncharacterized protein | / | 0.561 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.560 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.555 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.555 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.553 | |
| 3cse | N22 | Uncharacterized protein | / | 0.552 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.551 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.551 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.549 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.549 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.547 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.547 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.544 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.544 | |
| 3eem | 53V | Uncharacterized protein | / | 0.543 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.542 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.541 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.541 | |
| 3qly | 55V | Uncharacterized protein | / | 0.539 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.538 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.537 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.536 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.534 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.533 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.532 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.531 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.530 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.528 | |
| 3jwc | EKB | Dihydrofolate reductase | / | 0.526 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.525 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.524 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.524 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.522 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.521 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.521 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.520 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.519 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.519 | |
| 3r33 | 6ME | Dihydrofolate reductase | 1.5.1.3 | 0.518 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.516 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.516 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.516 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.515 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.514 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.513 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.510 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.510 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.508 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.506 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.505 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.505 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.505 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.505 | |
| 4fgh | 0U6 | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 2w9g | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.501 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.500 | |
| 2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.498 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.498 | |
| 4ele | 31I | Dihydrofolate reductase | / | 0.497 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
| 3srw | Q27 | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 4kjj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 4kne | 1CY | Dihydrofolate reductase | 1.5.1.3 | 0.489 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.487 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.487 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.486 | |
| 4elb | 34S | Dihydrofolate reductase | / | 0.486 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 3frf | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 2w3w | VG9 | Dihydrofolate reductase | / | 0.484 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.484 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.483 | |
| 3m08 | RAR | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.482 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.481 | |
| 1rd7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 3jw3 | TOP | Dihydrofolate reductase | / | 0.479 | |
| 3srr | Q20 | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 4elg | 52J | Dihydrofolate reductase | / | 0.479 | |
| 1rc4 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 3sru | Q26 | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.476 | |
| 3qyo | Q24 | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.476 | |
| 3sgy | 06W | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 3fyv | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 4x5j | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 1jom | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3eig | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.462 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 4c1i | EH9 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.458 | |
| 3bfb | 9OD | Pheromone-binding protein ASP1 | / | 0.457 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.457 | |
| 4flp | JQ1 | Bromodomain testis-specific protein | / | 0.457 | |
| 3fco | IIG | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.456 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.455 | |
| 3sai | 9DR | Dihydrofolate reductase | / | 0.454 | |
| 4j03 | FVS | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.454 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.454 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 1kij | NOV | DNA gyrase subunit B | / | 0.450 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 2zbz | VDX | Vitamin D3 dihydroxylase | / | 0.450 | |
| 3cx5 | SMA | Cytochrome b | / | 0.450 | |
| 4egn | TWO | Cytochrome P450 | / | 0.450 | |
| 1ezv | SMA | Cytochrome b | / | 0.449 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.449 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.449 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 3dho | B2M | Streptogramin A acetyltransferase | 2.3.1 | 0.448 | |
| 4f1s | F1S | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.448 | |
| 4j0s | 1H3 | Bromodomain-containing protein 4 | / | 0.448 | |
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 2z97 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.447 | |
| 4iv2 | 1GR | Estrogen receptor | / | 0.447 | |
| 1dis | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.446 | |
| 3ql3 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3rg9 | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.446 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 2zb4 | 5OP | Prostaglandin reductase 2 | 1.3.1.48 | 0.445 | |
| 3fy8 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3iqz | H4M | F420-dependent methylenetetrahydromethanopterin dehydrogenase | 1.5.98.1 | 0.445 | |
| 3w0h | W12 | Vitamin D3 receptor | / | 0.445 | |
| 4fjz | 4FJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.445 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.445 | |
| 1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3p99 | LNP | Lanosterol 14-alpha-demethylase | / | 0.444 | |
| 3p9t | TCL | Repressor | / | 0.443 | |
| 4a9o | A9O | Bromodomain-containing protein 2 | / | 0.443 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.443 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.443 | |
| 1kb9 | SMA | Cytochrome b | / | 0.442 | |
| 4dk5 | 0KO | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.442 | |
| 5dq8 | FLF | Transcriptional enhancer factor TEF-4 | / | 0.442 | |
| 2hw2 | RFP | Rifampin ADP-ribosyl transferase | / | 0.441 | |
| 4fhi | 0S4 | Vitamin D3 receptor A | / | 0.441 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.441 | |
| 1fpq | SAM | Isoliquiritigenin 2'-O-methyltransferase | / | 0.440 | |
| 4c9p | CAM | Cytochrome P450 | / | 0.440 | |
| 4fjy | FJY | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 | |
| 4nmb | FAD | Bifunctional protein PutA | / | 0.440 | |
| 3eml | ZMA | Adenosine receptor A2a | / | 0.440 |