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 |
|---|---|---|---|
| 4mq5 | TPP | Benzoylformate decarboxylase | 4.1.1.7 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4mq5 | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 1.000 | |
| 4ju8 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.645 | |
| 4ju9 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.644 | |
| 5dgt | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.631 | |
| 2fwn | TDP | Benzoylformate decarboxylase | 4.1.1.7 | 0.620 | |
| 4k9n | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.575 | |
| 4qel | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.570 | |
| 4mpr | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.565 | |
| 4gm0 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.537 | |
| 3fzn | D7K | Benzoylformate decarboxylase | 4.1.1.7 | 0.534 | |
| 4jd5 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.534 | |
| 4k9o | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.523 | |
| 1bfd | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.512 | |
| 4gm1 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.471 | |
| 4k9p | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.471 | |
| 4bkq | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.467 | |
| 4mzx | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.467 | |
| 3to3 | ATP | Petrobactin biosynthesis protein AsbB | / | 0.460 | |
| 3ieu | GDP | GTPase Era | / | 0.458 | |
| 1x1c | SAH | C-20 methyltransferase | / | 0.457 | |
| 1lrj | UD1 | UDP-glucose 4-epimerase | 5.1.3.2 | 0.456 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.455 | |
| 1kvu | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.454 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.452 | |
| 4h1e | 10J | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 4lxa | 1YS | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.449 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.449 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.449 | |
| 4fri | DWA | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 4uug | PXG | Branched-chain amino acid aminotransferase, putative | / | 0.448 | |
| 1mcz | TDP | Benzoylformate decarboxylase | 4.1.1.7 | 0.446 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.446 | |
| 3cty | FAD | Probable thioredoxin reductase | / | 0.445 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.445 | |
| 1n7h | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.444 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.443 | |
| 2qbm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 3pfd | FDA | Acyl-CoA dehydrogenase FadE25 | / | 0.443 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.443 | |
| 4dh6 | 0KN | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 2bxo | OPB | Serum albumin | / | 0.442 | |
| 3ehe | NAD | UDP-glucose 4-epimerase (GalE-1) | / | 0.442 | |
| 4a86 | 2AN | Major pollen allergen Bet v 1-A | / | 0.442 | |
| 2vpr | TDC | Tetracycline repressor protein class H | / | 0.441 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.441 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.441 | |
| 2hm1 | LIQ | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 3gnc | QQQ | Glutaryl-CoA dehydrogenase | / | 0.440 |