sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.626 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.569 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.562 | |
| 1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.562 | |
| 1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.544 | |
| 1s3u | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.539 | |
| 1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.538 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.534 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.515 | |
| 3s7a | 684 | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 5cc9 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.500 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.489 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.489 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.487 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.486 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 3qly | 55V | Uncharacterized protein | / | 0.481 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 1u71 | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 3aba | FLI | Cytochrome P450 | / | 0.474 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 2d0k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.470 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 2b01 | TUD | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.467 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3p99 | LNP | Lanosterol 14-alpha-demethylase | / | 0.463 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.462 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.460 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.460 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.459 | |
| 1rc4 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.455 | |
| 4kfj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 3eej | 53R | Uncharacterized protein | / | 0.454 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.454 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 4ej1 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 4boe | CLR | Japanin | / | 0.451 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 2g27 | 4LG | Renin | 3.4.23.15 | 0.450 | |
| 4g1n | NZT | Pyruvate kinase PKM | 2.7.1.40 | 0.450 | |
| 4m6k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1kmv | LII | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 2h42 | VIA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.448 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.448 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1tw2 | ERT | Carminomycin 4-O-methyltransferase DnrK | 2.1.1.292 | 0.447 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 3k1w | BFX | Renin | 3.4.23.15 | 0.446 | |
| 3eig | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.445 | |
| 5ccc | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 3cse | N22 | Uncharacterized protein | / | 0.444 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 2uag | UMA | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.443 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 4gi2 | NAP | Crotonyl-CoA carboxylase/reductase | / | 0.443 | |
| 3nu0 | 3TU | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3gi2 | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.441 |