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 |
|---|---|---|---|
| 5cc9 | DDF | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 5cc9 | DDF | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.535 | |
| 5ccc | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.520 | |
| 1jom | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 1rc4 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 4ej1 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
| 1s3u | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 5hi6 | MTX | Dihydrofolate reductase | / | 0.466 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 4rlh | 0WE | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.461 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 3s7a | 684 | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 4zzi | 1NS | NAD-dependent protein deacetylase sirtuin-1 | 3.5.1 | 0.457 | |
| 3w6h | AZM | Carbonic anhydrase 1 | 4.2.1.1 | 0.454 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.452 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 4ure | 1PS | Cyclohexanol dehydrogenase | / | 0.452 | |
| 1rx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1dg8 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4x5j | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1rx5 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.447 | |
| 2d0k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 4i1n | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1q5d | EPB | Epothilone C/D epoxidase | 1.14 | 0.445 | |
| 1tdr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.443 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.442 | |
| 1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.440 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.440 |