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 |
|---|---|---|---|
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 3gi2 | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.602 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.576 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.573 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.573 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.571 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.567 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.562 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.562 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.557 | |
| 4m6k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.556 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.555 | |
| 1kmv | LII | Dihydrofolate reductase | 1.5.1.3 | 0.550 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.538 | |
| 3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.536 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.533 | |
| 3qly | 55V | Uncharacterized protein | / | 0.533 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.530 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.526 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.518 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.516 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.514 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.514 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.513 | |
| 3nu0 | 3TU | Dihydrofolate reductase | 1.5.1.3 | 0.513 | |
| 3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 3k45 | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.504 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.504 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.503 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.502 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.501 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.501 | |
| 1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.500 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 3cse | N22 | Uncharacterized protein | / | 0.497 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.497 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.492 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.492 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.491 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.489 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.488 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.488 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.487 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 1pd8 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 4kfj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.480 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.477 | |
| 3eem | 53V | Uncharacterized protein | / | 0.474 | |
| 1s3u | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.473 | |
| 1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 4hf4 | 15H | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.469 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 3eej | 53R | Uncharacterized protein | / | 0.467 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.463 | |
| 1dls | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 3nxr | D2D | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 4muw | 2F4 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.460 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.459 | |
| 1u70 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 4ajd | F04 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.457 | |
| 4gts | 7TP | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.457 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.457 | |
| 3nxy | D2H | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 2w3a | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.453 | |
| 3s7a | 684 | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 4ddl | 0JQ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.453 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.450 | |
| 3qpp | PFW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.450 | |
| 3sni | 546 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.450 | |
| 3eek | 53S | Uncharacterized protein | / | 0.449 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.449 | |
| 3o56 | ZG1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.449 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.449 | |
| 3w1w | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.449 | |
| 1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.447 | |
| 1y2d | 4DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.446 | |
| 3aba | FLI | Cytochrome P450 | / | 0.446 | |
| 1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1zkn | IBM | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3c72 | CX1 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.444 | |
| 4bbh | YBN | Glycylpeptide N-tetradecanoyltransferase | / | 0.444 | |
| 2o8h | 227 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.443 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.443 | |
| 3nxv | D2F | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.442 | |
| 1ygk | RRC | Pyridoxal kinase | 2.7.1.35 | 0.442 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 1o6q | R17 | Squalene--hopene cyclase | 4.2.1.129 | 0.440 | |
| 3g58 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.440 |