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 |
|---|---|---|---|
| 1p5r | COA | Formyl-CoA:oxalate CoA-transferase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1p5r | COA | Formyl-CoA:oxalate CoA-transferase | / | 1.000 | |
| 1vgq | CAO | Formyl-CoA:oxalate CoA-transferase | / | 0.795 | |
| 1t3z | CAO | Formyl-CoA:oxalate CoA-transferase | / | 0.580 | |
| 2vjm | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.568 | |
| 1t4c | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.512 | |
| 1pt5 | ACO | Formyl-CoA:oxalate CoA-transferase | / | 0.496 | |
| 1pt8 | ACO | Formyl-CoA:oxalate CoA-transferase | / | 0.484 | |
| 1vgr | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.479 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.456 | |
| 3opx | U5P | Suppressor of disruption of TFIIS | / | 0.456 | |
| 1q6y | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.455 | |
| 2ed3 | SAH | Diphthine synthase | / | 0.455 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.454 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.453 | |
| 4kfq | KFQ | Glutamate receptor ionotropic, NMDA 1 | / | 0.453 | |
| 2wp9 | CBE | Succinate dehydrogenase iron-sulfur subunit | 1.3.5.1 | 0.452 | |
| 2wp9 | CBE | Succinate dehydrogenase cytochrome b556 subunit | / | 0.452 | |
| 1z44 | FMN | NADPH dehydrogenase | / | 0.451 | |
| 1ndh | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.450 | |
| 2c20 | NAD | UDP-glucose 4-epimerase | / | 0.450 | |
| 3to3 | ATP | Petrobactin biosynthesis protein AsbB | / | 0.450 | |
| 1h51 | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
| 3eks | CY9 | Actin-5C | / | 0.447 | |
| 2a1h | GBN | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.446 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.446 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.446 | |
| 3sf6 | FDA | Glutaryl-CoA dehydrogenase | / | 0.445 | |
| 3fkt | SII | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 1d0l | BLG | Membrane-bound lytic murein transglycosylase B | 4.2.2.n1 | 0.442 | |
| 1j49 | NAD | D-lactate dehydrogenase | 1.1.1.28 | 0.442 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.442 | |
| 2w6q | OA5 | Biotin carboxylase | 6.3.4.14 | 0.442 | |
| 2abb | FMN | Pentaerythritol tetranitrate reductase | / | 0.441 | |
| 2nni | MTK | Cytochrome P450 2C8 | / | 0.441 |