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 |
|---|---|---|---|
| 4wh2 | ADP | N-acetylhexosamine 1-kinase | 2.7.1.162 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4wh2 | ADP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 1.000 | |
| 4wh3 | ATP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.610 | |
| 4ocp | ADP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.598 | |
| 4ocv | ANP | Aminoglycoside phosphotransferase | / | 0.597 | |
| 4ock | ANP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.537 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.462 | |
| 3ge6 | FMN | Nitroreductase | / | 0.461 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.459 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.455 | |
| 2hs8 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.453 | |
| 1rne | C60 | Renin | 3.4.23.15 | 0.451 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.450 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.450 | |
| 4lfi | GNP | Casein kinase II subunit alpha | 2.7.11.1 | 0.450 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.449 | |
| 1daw | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.449 | |
| 1dxq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.449 | |
| 1nuq | NXX | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.448 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
| 1h63 | FMN | Pentaerythritol tetranitrate reductase | / | 0.446 | |
| 5a3b | APR | SIR2 family protein | / | 0.446 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.444 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.444 | |
| 1gg5 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.443 | |
| 4ge7 | 0K5 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.442 | |
| 4u7w | NDP | MxaA | / | 0.442 | |
| 5b0o | ADP | Flagellum-specific ATP synthase | 3.6.3.14 | 0.442 | |
| 1ju9 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 2get | COK | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.441 | |
| 2i4q | UA4 | Renin | 3.4.23.15 | 0.440 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 |