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 |
|---|---|---|---|
| 1kgj | FL8 | Transthyretin |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1kgj | FL8 | Transthyretin | / | 1.000 | |
| 1ict | T44 | Transthyretin | / | 0.535 | |
| 1sn5 | T3 | Transthyretin | / | 0.496 | |
| 1ie4 | T44 | Transthyretin | / | 0.488 | |
| 1tz8 | DES | Transthyretin | / | 0.477 | |
| 2zb3 | NDP | Prostaglandin reductase 2 | 1.3.1.48 | 0.466 | |
| 4wq5 | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.465 | |
| 4bb6 | HD1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.460 | |
| 4c4f | 7CE | Dual specificity protein kinase TTK | 2.7.12.1 | 0.457 | |
| 3t1t | GDP | Probable gliding protein mglA | / | 0.456 | |
| 3tvu | B37 | Acetyl-CoA carboxylase | / | 0.455 | |
| 4ydu | ADP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.452 | |
| 2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.451 | |
| 2i3g | NAP | N-acetyl-gamma-glutamyl-phosphate reductase | 1.2.1.38 | 0.450 | |
| 1nup | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.449 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.449 | |
| 4b7d | QLE | Cytochrome P450 monooxygenase PikC | / | 0.449 | |
| 3efw | AK8 | Aurora kinase A | 2.7.11.1 | 0.448 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 3inm | NDP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.445 | |
| 4ryv | ZEA | Protein LlR18A | / | 0.445 | |
| 4wji | NAP | Putative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase | / | 0.445 | |
| 3uov | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.444 | |
| 4wlo | NAI | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.444 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.443 | |
| 4wlu | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.443 | |
| 3ics | COA | Coenzyme A disulfide reductase | / | 0.442 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 4h3c | 0YZ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.441 | |
| 2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.440 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.440 |