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 |
|---|---|---|---|
| 3sa2 | 7DR | Dihydrofolate reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3sa2 | 7DR | Dihydrofolate reductase | / | 1.000 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.638 | |
| 3sai | 9DR | Dihydrofolate reductase | / | 0.593 | |
| 3jwc | EKB | Dihydrofolate reductase | / | 0.572 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.571 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.561 | |
| 3cse | N22 | Uncharacterized protein | / | 0.561 | |
| 3eek | 53S | Uncharacterized protein | / | 0.558 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.557 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.553 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.552 | |
| 4ele | 31I | Dihydrofolate reductase | / | 0.549 | |
| 3eel | 53T | Uncharacterized protein | / | 0.546 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.544 | |
| 3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.543 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.541 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.539 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.539 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.538 | |
| 3eem | 53V | Uncharacterized protein | / | 0.536 | |
| 4elg | 52J | Dihydrofolate reductase | / | 0.534 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.532 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.532 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.532 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.531 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.528 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.528 | |
| 3fl8 | RAR | Dihydrofolate reductase | / | 0.527 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.526 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.524 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.524 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.522 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.519 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.514 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.512 | |
| 3eej | 53R | Uncharacterized protein | / | 0.512 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.507 | |
| 4elb | 34S | Dihydrofolate reductase | / | 0.507 | |
| 4elb | 34R | Dihydrofolate reductase | / | 0.507 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.505 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.504 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.504 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 3r33 | 6ME | Dihydrofolate reductase | 1.5.1.3 | 0.498 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.497 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.495 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.495 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.493 | |
| 3qly | 55V | Uncharacterized protein | / | 0.491 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
| 2w3w | VG9 | Dihydrofolate reductase | / | 0.488 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.486 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 3dat | MTX | Dihydrofolate reductase | / | 0.484 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.481 | |
| 3jw3 | TOP | Dihydrofolate reductase | / | 0.481 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.476 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.476 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 1rc4 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.472 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.470 | |
| 3nxo | D2B | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 1ykd | CMP | Adenylate cyclase | / | 0.469 | |
| 1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 3srs | M23 | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.467 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.467 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.465 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 1lud | TRR | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.460 | |
| 3qaq | QAQ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.460 | |
| 4fgh | 0U6 | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 3sgv | 2BJ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.458 | |
| 3sru | Q26 | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.456 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 5hi6 | MTX | Dihydrofolate reductase | / | 0.456 | |
| 1dg8 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 2w9g | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 3s2a | 2NQ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.455 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 3iqz | H4M | F420-dependent methylenetetrahydromethanopterin dehydrogenase | 1.5.98.1 | 0.454 | |
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 3fyv | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.453 | |
| 1rx8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 2y8l | ADP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.452 | |
| 3fwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.452 | |
| 1dz6 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 2ham | C33 | Vitamin D3 receptor | / | 0.451 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.451 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.450 | |
| 4mv1 | ADP | Biotin carboxylase | 6.3.4.14 | 0.450 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 1enz | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 3sqy | Q11 | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 3srw | Q27 | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 2hb8 | MVD | Vitamin D3 receptor | / | 0.446 | |
| 3srr | Q20 | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.446 | |
| 4ia1 | BIV | Vitamin D3 receptor A | / | 0.446 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3ans | S38 | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.444 | |
| 3m08 | RAR | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4l8u | 9AZ | Serum albumin | / | 0.444 | |
| 2vss | ACO | Hydroxycinnamoyl-CoA hydratase-lyase | 4.1.2.41 | 0.443 | |
| 3ns2 | PYV | Abscisic acid receptor PYL2 | / | 0.443 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.443 | |
| 1kij | NOV | DNA gyrase subunit B | / | 0.442 | |
| 1m13 | HYF | Nuclear receptor subfamily 1 group I member 2 | / | 0.442 | |
| 2zl9 | VDA | Vitamin D3 receptor | / | 0.442 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.442 | |
| 4elf | 35I | Dihydrofolate reductase | / | 0.442 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.441 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.440 | |
| 4bfr | J82 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 2.7.1.153 | 0.440 | |
| 4ej1 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 4jhz | 1KV | Beta-glucuronidase | 3.2.1.31 | 0.440 |