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 |
|---|---|---|---|
| 2zwa | SAH | tRNA wybutosine-synthesizing protein 4 | 2.1.1.290 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2zwa | SAH | tRNA wybutosine-synthesizing protein 4 | 2.1.1.290 | 1.000 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.479 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.475 | |
| 1qrp | HH0 | Pepsin A-4 | 3.4.23.1 | 0.469 | |
| 3own | 3OX | Renin | 3.4.23.15 | 0.469 | |
| 1lf3 | EH5 | Plasmepsin-2 | 3.4.23.39 | 0.467 | |
| 4ewo | 996 | Beta-secretase 1 | 3.4.23.46 | 0.461 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.460 | |
| 2wf3 | ZY3 | Beta-secretase 1 | 3.4.23.46 | 0.457 | |
| 3g70 | A5T | Renin | 3.4.23.15 | 0.457 | |
| 2g24 | 7IG | Renin | 3.4.23.15 | 0.456 | |
| 2i4q | UA4 | Renin | 3.4.23.15 | 0.453 | |
| 1lf2 | R37 | Plasmepsin-2 | 3.4.23.39 | 0.452 | |
| 4dpi | 0N1 | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 4exg | 916 | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 3t2v | KKJ | Peptidoglycan recognition protein 1 | / | 0.449 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.449 | |
| 3ohh | 3HH | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 4dh6 | 0KN | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 1ja0 | NAP | NADPH--cytochrome P450 reductase | / | 0.447 | |
| 2g1r | 3IG | Renin | 3.4.23.15 | 0.447 | |
| 3nsh | 957 | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 4i0i | 957 | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 4frj | DWB | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
| 1bil | 0IU | Renin | 3.4.23.15 | 0.445 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.444 | |
| 2iko | 7IG | Renin | 3.4.23.15 | 0.444 | |
| 3udq | 09E | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 1rfu | ADP | Pyridoxal kinase | 2.7.1.35 | 0.443 | |
| 2vkm | BSD | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 4knz | CB3 | Thymidylate synthase | / | 0.443 | |
| 2il2 | LIX | Renin | 3.4.23.15 | 0.442 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 2zev | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.442 | |
| 3uku | C69 | Actin-related protein 3 | / | 0.442 | |
| 3zcn | ATP | Adenosine monophosphate-protein transferase SoFic | 2.7.7.n1 | 0.442 | |
| 4e2y | JHZ | Methyltransferase | / | 0.442 | |
| 2iku | LIY | Renin | 3.4.23.15 | 0.441 | |
| 3in6 | FMN | Uncharacterized protein | / | 0.441 | |
| 3lpj | Z75 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 4zqc | F6F | Tryptophan synthase alpha chain | / | 0.441 | |
| 5c3j | UQ1 | Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial | / | 0.441 | |
| 5c3j | UQ1 | Succinate dehydrogenase cytochrome b560 | / | 0.441 | |
| 1qoq | IGP | Tryptophan synthase alpha chain | / | 0.440 | |
| 2v16 | C47 | Renin | 3.4.23.15 | 0.440 | |
| 3daa | PDD | D-alanine aminotransferase | 2.6.1.21 | 0.440 | |
| 3exo | 5MS | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4e2z | JHZ | Methyltransferase | / | 0.440 |