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 |
|---|---|---|---|
| 2bue | COA | AAC(6')-Ib |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2bue | COA | AAC(6')-Ib | / | 1.000 | |
| 2vqy | ACO | AAC(6')-Ib | / | 0.627 | |
| 2prb | COA | Aminoglycoside 6-N-acetyltransferase type Ib11 | / | 0.609 | |
| 2vzz | SCA | Putative succinyl-CoA transferase Rv0802c | 2.8.3 | 0.492 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 3sxn | COA | N-acetyltransferase Eis | / | 0.481 | |
| 3f8k | COA | Uncharacterized protein | / | 0.469 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.468 | |
| 1f8f | NAD | Benzyl alcohol dehydrogenase | / | 0.467 | |
| 2r2n | KYN | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.467 | |
| 1qlh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.464 | |
| 4tmc | FMN | Old yellow enzyme | / | 0.464 | |
| 4i22 | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.463 | |
| 1ju9 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.461 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 4b4d | FAD | Ferredoxin-NADP reductase | / | 0.458 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.457 | |
| 3eej | 53R | Uncharacterized protein | / | 0.457 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.457 | |
| 4fhi | 0S4 | Vitamin D3 receptor A | / | 0.457 | |
| 3mgd | ACO | Predicted acetyltransferase | / | 0.456 | |
| 4bva | T3 | Ketimine reductase mu-crystallin | 1.5.1.25 | 0.456 | |
| 2hk9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.455 | |
| 4r87 | COA | Spermidine N(1)-acetyltransferase | / | 0.455 | |
| 5c88 | COA | N-alpha-acetyltransferase | / | 0.455 | |
| 6adh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.455 | |
| 2yg4 | FAD | Putrescine oxidase | / | 0.453 | |
| 3frq | ERY | Erythromycin resistance repressor protein | / | 0.453 | |
| 3n4m | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.453 | |
| 3t4n | ADP | 5'-AMP-activated protein kinase subunit gamma | / | 0.453 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.452 | |
| 1p0h | ACO | Mycothiol acetyltransferase | 2.3.1.189 | 0.452 | |
| 3zu2 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.452 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.451 | |
| 3vwd | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.451 | |
| 5dp2 | NAP | CurF | / | 0.451 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.451 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.450 | |
| 4lx9 | ACO | N-alpha-acetyltransferase | 2.3.1 | 0.449 | |
| 1esv | LAR | Actin, alpha skeletal muscle | / | 0.447 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.447 | |
| 2x0r | NAD | Malate dehydrogenase | / | 0.447 | |
| 3vaq | ADN | Putative adenosine kinase | / | 0.447 | |
| 1nq1 | 4HY | Thyroid hormone receptor beta | / | 0.446 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.446 | |
| 3p82 | FMN | Pentaerythritol tetranitrate reductase | / | 0.446 | |
| 4wda | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.446 | |
| 1xq6 | NAP | Uncharacterized protein At5g02240 | / | 0.445 | |
| 2nli | FMN | Lactate oxidase | / | 0.445 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.445 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.445 | |
| 2ob0 | ACO | N-alpha-acetyltransferase 50 | / | 0.445 | |
| 2x7b | COA | N-alpha-acetyltransferase | 2.3.1 | 0.445 | |
| 3aty | FMN | Prostaglandin F2a synthase | / | 0.445 | |
| 4dx7 | DM2 | Multidrug efflux pump subunit AcrB | / | 0.445 | |
| 4e2b | FMN | Dehydrogenase | / | 0.445 | |
| 4pao | GSP | Guanine nucleotide-binding protein G(i) subunit alpha-1 | / | 0.445 | |
| 5itz | LOC | Tubulin beta-2B chain | / | 0.445 | |
| 1txi | TX5 | Vitamin D3 receptor | / | 0.444 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.444 | |
| 2qll | PLP | Glycogen phosphorylase, liver form | 2.4.1.1 | 0.444 | |
| 4a6r | TA8 | Probable aminotransferase | / | 0.444 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.444 | |
| 1akc | PPE | Aspartate aminotransferase, mitochondrial | 2.6.1.1 | 0.443 | |
| 2j0j | 4ST | Focal adhesion kinase 1 | 2.7.10.2 | 0.443 | |
| 3mdv | CL6 | Cholesterol 24-hydroxylase | / | 0.443 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.443 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.443 | |
| 3pcr | GTP | ADP-ribosylation factor 6 | / | 0.443 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.443 | |
| 4u9z | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.443 | |
| 5adh | APR | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.443 | |
| 1adf | TAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.442 | |
| 1s5k | COA | Aminoglycoside N(6')-acetyltransferase type 1 | / | 0.442 | |
| 3mvm | 39P | Mitogen-activated protein kinase 14 | / | 0.442 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.442 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2e9z | UTP | Genome polyprotein | / | 0.441 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.441 | |
| 3cbs | R12 | Cellular retinoic acid-binding protein 2 | / | 0.441 | |
| 3ics | ADP | Coenzyme A disulfide reductase | / | 0.441 | |
| 3vwe | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.441 | |
| 4cf8 | V7H | Integrase | / | 0.441 | |
| 4loi | 1YC | Stimulator of interferon genes protein | / | 0.441 | |
| 4rvn | COA | Phenylacetate-coenzyme A ligase | / | 0.441 | |
| 5kcz | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 2qo4 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.440 | |
| 3fhx | PLP | Pyridoxal kinase | 2.7.1.35 | 0.440 | |
| 4hsu | FAD | Lysine-specific histone demethylase 1B | 1 | 0.440 |