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 |
|---|---|---|---|
| 4ys2 | 2BA | Uncharacterized protein |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4ys2 | 2BA | Uncharacterized protein | / | 1.000 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.494 | |
| 2o1s | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.489 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.475 | |
| 2v13 | C40 | Renin | 3.4.23.15 | 0.464 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.464 | |
| 1bim | 0QB | Renin | 3.4.23.15 | 0.459 | |
| 2fzn | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.458 | |
| 2lfo | GCH | Fatty acid-binding protein, liver | / | 0.457 | |
| 3h2s | NDP | Putative NADH-flavin reductase | / | 0.457 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.456 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.454 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.454 | |
| 1kce | CB3 | Thymidylate synthase | / | 0.452 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.452 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.451 | |
| 3b9l | AZZ | Serum albumin | / | 0.450 | |
| 1mcz | TDP | Benzoylformate decarboxylase | 4.1.1.7 | 0.449 | |
| 2d81 | RB3 | Poly(3-hydroxybutyrate) depolymerase | / | 0.449 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.449 | |
| 2xgs | 44P | Uncharacterized protein | / | 0.448 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.448 | |
| 4xym | COA | Acyl-CoA synthetase (NDP forming) | / | 0.448 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.446 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.446 | |
| 4l4e | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.444 | |
| 2iya | ZIO | Oleandomycin glycosyltransferase | / | 0.443 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.443 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.443 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.443 | |
| 3b9x | NOS | Pyrimidine-specific ribonucleoside hydrolase RihB | 3.2.2.8 | 0.442 | |
| 4ure | 1PS | Cyclohexanol dehydrogenase | / | 0.442 | |
| 1fp2 | HMO | Isoflavone-7-O-methyltransferase 8 | 2.1.1.150 | 0.441 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.441 | |
| 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 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.441 | |
| 4l4f | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 1ib0 | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.440 | |
| 1tl7 | FOK | Adenylate cyclase type 2 | / | 0.440 | |
| 1tl7 | FOK | Adenylate cyclase type 5 | / | 0.440 | |
| 2xgo | ZKD | Uncharacterized protein | / | 0.440 | |
| 3gvi | ADP | Malate dehydrogenase | / | 0.440 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 |