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 |
|---|---|---|---|
| 2a8y | MTA | S-methyl-5'-thioadenosine phosphorylase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2a8y | MTA | S-methyl-5'-thioadenosine phosphorylase | / | 1.000 | |
| 3t94 | MTA | S-methyl-5'-thioadenosine phosphorylase | / | 0.513 | |
| 2fzn | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.481 | |
| 1tj0 | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.467 | |
| 4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.464 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.461 | |
| 1rsz | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.460 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.460 | |
| 3in6 | FMN | Uncharacterized protein | / | 0.457 | |
| 3zxh | E41 | Collagenase 3 | 3.4.24 | 0.456 | |
| 1mja | COA | Histone acetyltransferase ESA1 | / | 0.455 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.451 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1fy7 | COA | Histone acetyltransferase ESA1 | / | 0.450 | |
| 1tj2 | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.450 | |
| 3g70 | A5T | Renin | 3.4.23.15 | 0.450 | |
| 2lfo | GCH | Fatty acid-binding protein, liver | / | 0.449 | |
| 4do3 | 0LA | Fatty-acid amide hydrolase 1 | 3.5.1.99 | 0.449 | |
| 4y95 | 746 | Tyrosine-protein kinase | / | 0.449 | |
| 1tj1 | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.448 | |
| 4k4e | K4E | Tankyrase-1 | 2.4.2.30 | 0.448 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 2f7x | 4EA | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.447 | |
| 2p5c | SAH | Diphthine synthase | / | 0.445 | |
| 3w6h | AZM | Carbonic anhydrase 1 | 4.2.1.1 | 0.445 | |
| 4kz0 | 1UJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.445 | |
| 1ydt | IQB | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.443 | |
| 2psw | COA | N-alpha-acetyltransferase 50 | / | 0.442 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.442 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.442 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 1lbc | CYZ | Glutamate receptor 2 | / | 0.440 | |
| 1olm | VTQ | SEC14-like protein 2 | / | 0.440 | |
| 2zsa | ADP | Pantothenate kinase | 2.7.1.33 | 0.440 | |
| 3oqk | S52 | Renin | 3.4.23.15 | 0.440 |