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 |
|---|---|---|---|
| 2mse | GNP | MHC class I alpha chain |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2mse | GNP | MHC class I alpha chain | / | 1.000 | |
| 2msd | GNP | MHC class I alpha chain | / | 0.579 | |
| 3eks | CY9 | Actin-5C | / | 0.496 | |
| 1q6t | 600 | Tyrosine-protein phosphatase non-receptor type 1 | 3.1.3.48 | 0.475 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.470 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.470 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.459 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.459 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.459 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.458 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.456 | |
| 2ifa | FMN | Uncharacterized protein | / | 0.455 | |
| 3eku | CY9 | Actin-5C | / | 0.454 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.454 | |
| 3oqk | S52 | Renin | 3.4.23.15 | 0.453 | |
| 1rjg | SAH | Leucine carboxyl methyltransferase 1 | 2.1.1.233 | 0.452 | |
| 2ob0 | ACO | N-alpha-acetyltransferase 50 | / | 0.451 | |
| 3k7t | FAD | 6-hydroxy-L-nicotine oxidase | / | 0.451 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.451 | |
| 4l4x | NDP | AmphI | / | 0.448 | |
| 1f8w | FAD | NADH peroxidase | 1.11.1.1 | 0.447 | |
| 1g63 | FMN | Epidermin decarboxylase | 4.1.1 | 0.446 | |
| 1siq | FAD | Glutaryl-CoA dehydrogenase, mitochondrial | 1.3.8.6 | 0.445 | |
| 3pzc | COA | Amino acid--[acyl-carrier-protein] ligase 1 | 6.2.1.n2 | 0.445 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.445 | |
| 1jtv | TES | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 1nyt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.444 | |
| 1jq5 | NAD | Glycerol dehydrogenase | 1.1.1.6 | 0.443 | |
| 1n4q | LYS_CYS_VAL_ILE_LEU | Geranylgeranyl transferase type-1 subunit beta | 2.5.1.59 | 0.443 | |
| 3vwd | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.443 | |
| 1j4j | ACO | Acetyltransferase | 2.3.1 | 0.442 | |
| 2rge | GNP | GTPase HRas | / | 0.442 | |
| 4u9v | ACO | N-alpha-acetyltransferase 40 | 2.3.1 | 0.442 | |
| 5eso | ISC | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.442 | |
| 2psw | COA | N-alpha-acetyltransferase 50 | / | 0.441 | |
| 4dpf | 0LG | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 4dsn | GCP | GTPase KRas | / | 0.441 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.440 | |
| 1joa | FAD | NADH peroxidase | 1.11.1.1 | 0.440 | |
| 2hnk | SAH | SAM-dependent O-methyltransferase | / | 0.440 | |
| 3b4y | F42 | F420-dependent glucose-6-phosphate dehydrogenase | / | 0.440 | |
| 3sgl | FAD | tRNA 5-methylaminomethyl-2-thiouridine biosynthesis bifunctional protein MnmC | / | 0.440 | |
| 4emd | C5P | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.440 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.440 |