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 |
|---|---|---|---|
| 3eks | CY9 | Actin-5C |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3eks | CY9 | Actin-5C | / | 1.000 | |
| 3eku | CY9 | Actin-5C | / | 0.663 | |
| 3gfb | NAD | L-threonine 3-dehydrogenase | / | 0.483 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.480 | |
| 4bby | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.473 | |
| 1wua | AP8 | Actin, alpha skeletal muscle | / | 0.470 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.468 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.464 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.463 | |
| 1ege | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.461 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.459 | |
| 4bca | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.459 | |
| 1rne | C60 | Renin | 3.4.23.15 | 0.454 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.454 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.454 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.453 | |
| 4g74 | FAD | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.453 | |
| 1bil | 0IU | Renin | 3.4.23.15 | 0.452 | |
| 2ifa | FMN | Uncharacterized protein | / | 0.452 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.452 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.451 | |
| 1lwi | NAP | 3-alpha-hydroxysteroid dehydrogenase | 1.1.1.50 | 0.450 | |
| 1zdw | FLV | Prenyltransferase | / | 0.450 | |
| 1bim | 0QB | Renin | 3.4.23.15 | 0.449 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.448 | |
| 5cho | FAD | Flavin reductase | / | 0.447 | |
| 1j49 | NAD | D-lactate dehydrogenase | 1.1.1.28 | 0.446 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.446 | |
| 2ozu | ACO | Histone acetyltransferase KAT6A | / | 0.446 | |
| 2z1q | FAD | Acyl-CoA dehydrogenase | / | 0.446 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.446 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.446 | |
| 4l4x | NDP | AmphI | / | 0.446 | |
| 2bn4 | FMN | NADPH--cytochrome P450 reductase | / | 0.445 | |
| 1cdo | NAD | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.444 | |
| 1xs7 | MMI | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 2lfo | GCH | Fatty acid-binding protein, liver | / | 0.444 | |
| 3cid | 318 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 3af0 | GDP | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 3aty | FMN | Prostaglandin F2a synthase | / | 0.443 | |
| 2yph | QQY | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.442 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.442 | |
| 1gox | FMN | Peroxisomal (S)-2-hydroxy-acid oxidase | 1.1.3.15 | 0.441 | |
| 1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.441 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.441 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.441 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1u8v | FAD | 4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase | / | 0.440 | |
| 3ohh | 3HH | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 3qwb | NDP | Probable quinone oxidoreductase | 1.6.5.5 | 0.440 | |
| 5ag7 | MYA | Glycylpeptide N-tetradecanoyltransferase | / | 0.440 |