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 |
|---|---|---|---|
| 1h60 | STR | Pentaerythritol tetranitrate reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1h60 | STR | Pentaerythritol tetranitrate reductase | / | 1.000 | |
| 1h61 | PDN | Pentaerythritol tetranitrate reductase | / | 0.622 | |
| 2aba | STR | Pentaerythritol tetranitrate reductase | / | 0.616 | |
| 1gvr | TNL | Pentaerythritol tetranitrate reductase | / | 0.535 | |
| 2abb | FMN | Pentaerythritol tetranitrate reductase | / | 0.519 | |
| 1h62 | ANB | Pentaerythritol tetranitrate reductase | / | 0.512 | |
| 3kft | NAD | Pentaerythritol tetranitrate reductase | / | 0.500 | |
| 3p8i | FMN | Pentaerythritol tetranitrate reductase | / | 0.494 | |
| 2gs9 | SAH | Uncharacterized protein | / | 0.464 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.463 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.462 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.458 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.457 | |
| 3oad | LPO | Renin | 3.4.23.15 | 0.456 | |
| 2xui | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
| 4dri | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.454 | |
| 4dri | RAP | Peptidyl-prolyl cis-trans isomerase FKBP5 | 5.2.1.8 | 0.454 | |
| 3gfb | NAD | L-threonine 3-dehydrogenase | / | 0.453 | |
| 3g6z | A7T | Renin | 3.4.23.15 | 0.446 | |
| 1q83 | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 3m2v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.443 | |
| 4ey6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.442 | |
| 2yq9 | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.442 | |
| 3exh | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.441 | |
| 3exh | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.441 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.440 |