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 |
|---|---|---|---|
| 1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.724 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.659 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.605 | |
| 1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.602 | |
| 1s3u | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.599 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.566 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.540 | |
| 3s7a | 684 | Dihydrofolate reductase | 1.5.1.3 | 0.524 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.518 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.515 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
| 1u71 | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.489 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.484 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.484 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.477 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.475 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 3eig | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.471 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 4phl | PIL | Phosphodiesterase | / | 0.468 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.464 | |
| 1kmv | LII | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.462 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.461 | |
| 3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.459 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
| 4m6k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.450 | |
| 1w06 | W05 | Isopenicillin N synthase | 1.21.3.1 | 0.450 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.446 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 1o97 | FAD | Electron transfer flavoprotein subunit alpha | / | 0.441 | |
| 3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.440 |