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 |
|---|---|---|---|
| 2a1u | FAD | Electron transfer flavoprotein subunit alpha, mitochondrial |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2a1u | FAD | Electron transfer flavoprotein subunit alpha, mitochondrial | / | 1.000 | |
| 1efv | FAD | Electron transfer flavoprotein subunit alpha, mitochondrial | / | 0.657 | |
| 1efp | FAD | Electron transfer flavoprotein subunit alpha | / | 0.623 | |
| 2q61 | SF1 | Peroxisome proliferator-activated receptor gamma | / | 0.477 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.458 | |
| 3da2 | 4MD | Carbonic anhydrase 13 | 4.2.1.1 | 0.456 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.456 | |
| 4wuj | FMN | Glycoside hydrolase family 15, cellulose signaling associated protein envoy | / | 0.456 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.455 | |
| 2q59 | 240 | Peroxisome proliferator-activated receptor gamma | / | 0.455 | |
| 1q3q | ANP | Thermosome subunit alpha | / | 0.454 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.453 | |
| 3kji | ADP | CO dehydrogenase/acetyl-CoA synthase complex, accessory protein CooC | / | 0.453 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.453 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.452 | |
| 2xtz | GSP | Guanine nucleotide-binding protein alpha-1 subunit | / | 0.452 | |
| 4nxw | ADP | Mitochondrial dynamics protein MID51 | / | 0.452 | |
| 2pd7 | FAD | Vivid PAS protein VVD | / | 0.451 | |
| 2v1x | ADP | ATP-dependent DNA helicase Q1 | 3.6.4.12 | 0.451 | |
| 3cly | ACP | Fibroblast growth factor receptor 2 | / | 0.451 | |
| 3jyn | NDP | Quinone oxidoreductase | / | 0.451 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.448 | |
| 1ht8 | 34C | Prostaglandin G/H synthase 1 | 1.14.99.1 | 0.446 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.446 | |
| 4h4u | NDP | Biphenyl dioxygenase ferredoxin reductase subunit | / | 0.446 | |
| 1eqh | FLP | Prostaglandin G/H synthase 1 | 1.14.99.1 | 0.445 | |
| 4ge7 | 0K5 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.445 | |
| 4kzo | NAP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.445 | |
| 1t1r | IMB | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.444 | |
| 2hqp | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.444 | |
| 4edz | 0O5 | Hematopoietic prostaglandin D synthase | / | 0.444 | |
| 8cat | NDP | Catalase | 1.11.1.6 | 0.444 | |
| 2yy8 | MTA | tRNA (cytidine(56)-2'-O)-methyltransferase | / | 0.443 | |
| 3vn2 | TLS | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 1ffu | FAD | Carbon monoxide dehydrogenase medium chain | / | 0.442 | |
| 2q5p | 241 | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 2r0p | K2C | Putative FAD-monooxygenase | / | 0.442 | |
| 3nwq | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 4a4v | YFD | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 4h8n | NDP | NADPH-dependent conjugated polyketone reductase C2 | / | 0.442 | |
| 4xld | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 2ic5 | GDP | Ras-related C3 botulinum toxin substrate 3 | / | 0.441 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.441 | |
| 4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.441 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.441 | |
| 5ej9 | TPP | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.441 | |
| 1g6c | IFP | Thiamine-phosphate synthase | / | 0.440 | |
| 3k5u | PFQ | Aurora kinase A | 2.7.11.1 | 0.440 | |
| 3p7n | FMN | Light-activated DNA-binding protein EL222 | / | 0.440 |