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 |
|---|---|---|---|
| 2nv4 | SAM | S-adenosyl-L-methionine-binding protein AF_0241 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2nv4 | SAM | S-adenosyl-L-methionine-binding protein AF_0241 | / | 1.000 | |
| 2fon | FAD | Acyl-coenzyme A oxidase | / | 0.477 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.471 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.467 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.464 | |
| 3ox4 | NAD | Alcohol dehydrogenase 2 | 1.1.1.1 | 0.464 | |
| 2wa2 | SAM | Genome polyprotein | / | 0.462 | |
| 4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.462 | |
| 2aa3 | AP0 | L-lactate dehydrogenase | / | 0.460 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.460 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.458 | |
| 1qlh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.457 | |
| 2zyn | BCD | Periplasmic binding protein | / | 0.457 | |
| 4ifc | ADP | Serine/threonine-protein kinase PRP4 homolog | 2.7.11.1 | 0.455 | |
| 3pgq | GY3 | Acetyl-CoA carboxylase | / | 0.453 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.451 | |
| 2ojt | UBA | Glutamate receptor ionotropic, kainate 1 | / | 0.450 | |
| 4jay | FAD | UDP-N-acetylenolpyruvoylglucosamine reductase | / | 0.450 | |
| 3qwb | NDP | Probable quinone oxidoreductase | 1.6.5.5 | 0.448 | |
| 3r7k | FDA | Probable acyl CoA dehydrogenase | / | 0.448 | |
| 4hxy | NDP | Plm1 | / | 0.448 | |
| 4kov | KOV | Uncharacterized protein | / | 0.447 | |
| 4qi7 | FAD | Cellobiose dehydrogenase | / | 0.447 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.446 | |
| 2ahr | NAP | Pyrroline-5-carboxylate reductase | / | 0.446 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 4i02 | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.446 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.446 | |
| 4xgi | NAD | Glutamate dehydrogenase | / | 0.446 | |
| 1lwi | NAP | 3-alpha-hydroxysteroid dehydrogenase | 1.1.1.50 | 0.445 | |
| 2bi4 | NAD | Lactaldehyde reductase | 1.1.1.77 | 0.445 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 3flk | NAI | Tartrate dehydrogenase/decarboxylase | 1.1.1.93 | 0.444 | |
| 4qi4 | FAD | Cellobiose dehydrogenase | / | 0.444 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.443 | |
| 2uzu | L20 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.443 | |
| 4enh | FVX | Cholesterol 24-hydroxylase | / | 0.443 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.443 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.442 | |
| 4ji9 | 1M3 | Tyrosine-protein kinase JAK2 | / | 0.442 | |
| 1bim | 0QB | Renin | 3.4.23.15 | 0.441 | |
| 1h2b | NAJ | NAD-dependent alcohol dehydrogenase | / | 0.441 | |
| 1kp3 | ATP | Argininosuccinate synthase | 6.3.4.5 | 0.441 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.441 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.441 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.441 | |
| 3kpk | FAD | Sulfide-quinone reductase | / | 0.441 | |
| 3lsh | FAD | Pyranose 2-oxidase | / | 0.441 | |
| 1qmz | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 4cjx | 9L9 | C-1-tetrahydrofolate synthase, cytoplasmic, putative | / | 0.440 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.440 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.440 |