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 |
|---|---|---|---|
| 3l67 | FMN | Xenobiotic reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3l67 | FMN | Xenobiotic reductase | / | 1.000 | |
| 3l5l | FMN | Xenobiotic reductase | / | 0.717 | |
| 4uth | FMN | Xenobiotic reductase | / | 0.714 | |
| 2h8x | FMN | XenA | / | 0.652 | |
| 3n14 | FMN | Xenobiotic reductase | / | 0.618 | |
| 1z44 | FMN | NADPH dehydrogenase | / | 0.518 | |
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.485 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.483 | |
| 3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.479 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.477 | |
| 4rvf | TYD | D-mycarose 3-C-methyltransferase | / | 0.473 | |
| 1icq | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.471 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.469 | |
| 3kru | FMN | NADH:flavin oxidoreductase/NADH oxidase | / | 0.467 | |
| 3hgo | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.466 | |
| 3e30 | ED4 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.464 | |
| 3q7f | ED2 | Uncharacterized protein | / | 0.464 | |
| 1tll | FMN | Nitric oxide synthase, brain | 1.14.13.39 | 0.462 | |
| 1vhz | APR | ADP compounds hydrolase NudE | 3.6.1 | 0.460 | |
| 2ges | COK | Pantothenate kinase | 2.7.1.33 | 0.459 | |
| 2dsc | APR | ADP-sugar pyrophosphatase | 3.6.1.13 | 0.457 | |
| 3hf3 | FMN | Chromate reductase | / | 0.457 | |
| 4fri | DWA | Beta-secretase 1 | 3.4.23.46 | 0.457 | |
| 1ld7 | U66 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.455 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.455 | |
| 3hgr | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.454 | |
| 4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.454 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.453 | |
| 2vkv | TDC | Tetracycline repressor protein class D | / | 0.451 | |
| 1s63 | 778 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.450 | |
| 4a32 | 2CD | Glycylpeptide N-tetradecanoyltransferase | / | 0.450 | |
| 1jcq | 739 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.449 | |
| 3fnl | SHA | Lactoperoxidase | / | 0.449 | |
| 2ejz | SAH | Diphthine synthase | / | 0.448 | |
| 2wzy | SQX | Soluble acetylcholine receptor | / | 0.448 | |
| 3p8j | FMN | Pentaerythritol tetranitrate reductase | / | 0.448 | |
| 1pqc | 444 | Oxysterols receptor LXR-beta | / | 0.447 | |
| 3af1 | GDP | Pantothenate kinase | 2.7.1.33 | 0.447 | |
| 2jgb | MGT | Eukaryotic translation initiation factor 4E type 2 | / | 0.446 | |
| 2yq9 | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.446 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.446 | |
| 4b63 | FAD | L-ornithine N(5)-monooxygenase | / | 0.446 | |
| 4b72 | 2FB | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
| 2hs8 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.445 | |
| 2vut | NAD | Nitrogen metabolite repression protein nmrA | / | 0.444 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.444 | |
| 4utk | FNR | Xenobiotic reductase | / | 0.444 | |
| 8dfr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1gox | FMN | Peroxisomal (S)-2-hydroxy-acid oxidase | 1.1.3.15 | 0.443 | |
| 1j49 | NAD | D-lactate dehydrogenase | 1.1.1.28 | 0.443 | |
| 1ni1 | HFP | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.443 | |
| 3ksq | Z96 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.443 | |
| 4rnu | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.443 | |
| 4utl | FNR | Xenobiotic reductase | / | 0.443 | |
| 2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.442 | |
| 3mau | PLR | Putative sphingosine-1-phosphate lyase | / | 0.442 | |
| 3n19 | FNR | Xenobiotic reductase | / | 0.442 | |
| 4dd8 | BAT | Disintegrin and metalloproteinase domain-containing protein 8 | 3.4.24 | 0.442 | |
| 4h3i | 10V | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 4rnv | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.441 | |
| 2f3r | G5P | Guanylate kinase | 2.7.4.8 | 0.440 | |
| 2jl1 | NAP | Triphenylmethane reductase | / | 0.440 | |
| 4frj | DWB | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4tmb | FMN | Old yellow enzyme | / | 0.440 | |
| 5fd8 | A5A | Putative carboxypeptidase yocD | / | 0.440 |