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 |
|---|---|---|---|
| 2e7f | C2F | 5-methyltetrahydrofolate:corrinoid/iron-sulfur protein co-methyltransferase | 2.1.1.258 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2e7f | C2F | 5-methyltetrahydrofolate:corrinoid/iron-sulfur protein co-methyltransferase | 2.1.1.258 | 1.000 | |
| 2ogy | C2F | 5-methyltetrahydrofolate:corrinoid/iron-sulfur protein co-methyltransferase | 2.1.1.258 | 0.633 | |
| 3k13 | THH | 5-methyltetrahydrofolate-homocysteine methyltransferase | / | 0.538 | |
| 3pw8 | ACO | 1,2-phenylacetyl-CoA epoxidase, subunit A | 1.14.13.149 | 0.464 | |
| 3dzv | ADP | Hydroxyethylthiazole kinase | / | 0.458 | |
| 1nbh | SAM | Glycine N-methyltransferase | 2.1.1.20 | 0.457 | |
| 2v34 | CTN | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.457 | |
| 1la2 | NAD | Inositol-3-phosphate synthase | 5.5.1.4 | 0.453 | |
| 2f7x | 4EA | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.453 | |
| 3eld | SFG | Methyltransferase | / | 0.453 | |
| 2yj5 | ATP | Copper-transporting ATPase | / | 0.450 | |
| 3vil | SA0 | Beta-glucosidase | / | 0.450 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.450 | |
| 4yak | ACO | Acyl-CoA synthetase (NDP forming) | / | 0.450 | |
| 3kji | ADP | CO dehydrogenase/acetyl-CoA synthase complex, accessory protein CooC | / | 0.449 | |
| 3o0q | ADN | Vitamin B12-dependent ribonucleotide reductase | / | 0.449 | |
| 4bvb | AR6 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.449 | |
| 4i9n | 1E5 | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.448 | |
| 5kwv | ANP | Pantothenate synthetase | / | 0.448 | |
| 2ylz | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.447 | |
| 3p8z | SAH | Genome polyprotein | 2.1.1.56 | 0.447 | |
| 4pan | GDP | Guanine nucleotide-binding protein G(i) subunit alpha-1 | / | 0.447 | |
| 1tj2 | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.445 | |
| 4opg | FDA | Conserved Archaeal protein | / | 0.445 | |
| 1t02 | LVA | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1.1.1.88 | 0.444 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.444 | |
| 3w77 | FMN | FMN-dependent NADH-azoreductase | / | 0.442 | |
| 1rfv | ADP | Pyridoxal kinase | 2.7.1.35 | 0.440 | |
| 4ks7 | X4Z | Serine/threonine-protein kinase PAK 6 | 2.7.11.1 | 0.440 |