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 |
|---|---|---|---|
| 3qgf | 46F | Genome polyprotein | 2.7.7.48 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3qgf | 46F | Genome polyprotein | 2.7.7.48 | 1.000 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.471 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.463 | |
| 3nsh | 957 | Beta-secretase 1 | 3.4.23.46 | 0.459 | |
| 4i0i | 957 | Beta-secretase 1 | 3.4.23.46 | 0.459 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.456 | |
| 4cvm | ANP | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | / | 0.453 | |
| 4bby | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.452 | |
| 3k5c | 0BI | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.448 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.448 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.448 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.447 | |
| 2p2x | SAH | Diphthine synthase | / | 0.446 | |
| 2dsi | SAH | Diphthine synthase | / | 0.444 | |
| 3h0b | B35 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 2h3w | HC5 | Carnitine O-acetyltransferase | 2.3.1.7 | 0.441 | |
| 2fw3 | BUI | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.440 |