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 |
|---|---|---|---|
| 1wdk | ACO | 3-ketoacyl-CoA thiolase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1wdk | ACO | 3-ketoacyl-CoA thiolase | / | 1.000 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.477 | |
| 3upt | TPP | Transketolase | / | 0.471 | |
| 1tka | N3T | Transketolase 1 | 2.2.1.1 | 0.469 | |
| 4ubt | COA | Steroid 3-ketoacyl-CoA thiolase | / | 0.467 | |
| 1ngs | TPP | Transketolase 1 | 2.2.1.1 | 0.466 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.459 | |
| 3t3q | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.458 | |
| 4pkl | 1GH | Uncharacterized protein | / | 0.458 | |
| 3t3r | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.455 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.454 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.450 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.449 | |
| 1sd1 | FMC | S-methyl-5'-thioadenosine phosphorylase | / | 0.449 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.449 | |
| 2r5n | TPP | Transketolase 1 | / | 0.449 | |
| 4e0u | 0MV | Cyclic dipeptide N-prenyltransferase | / | 0.447 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
| 4dch | 4DC | Glucokinase | 2.7.1.2 | 0.444 | |
| 1cg6 | MTA | S-methyl-5'-thioadenosine phosphorylase | / | 0.443 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 3ch6 | 311 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.443 | |
| 4twn | B96 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.443 | |
| 1ay0 | TPP | Transketolase 1 | 2.2.1.1 | 0.442 | |
| 2fm0 | M98 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 3t37 | FAD | Pyridoxine 4-oxidase | / | 0.441 | |
| 4ajm | 3A6 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
| 1fml | RTL | Retinol dehydratase | / | 0.440 | |
| 4bb6 | HD1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 |