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 |
|---|---|---|---|
| 1ro8 | C5P | Alpha-2,3-/2,8-sialyltransferase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1ro8 | C5P | Alpha-2,3-/2,8-sialyltransferase | / | 1.000 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.469 | |
| 2vyq | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.460 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.460 | |
| 2wzw | NDP | Nitroreductase NfnB | / | 0.458 | |
| 4frk | DWD | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
| 4rvd | SAM | D-mycarose 3-C-methyltransferase | / | 0.456 | |
| 4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.455 | |
| 5czy | SAM | Eukaryotic huntingtin interacting protein B | / | 0.455 | |
| 3u9e | COA | Lmo1369 protein | / | 0.452 | |
| 1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.451 | |
| 3mvq | NDP | Glutamate dehydrogenase 1, mitochondrial | 1.4.1.3 | 0.451 | |
| 4eb7 | PLP | Cysteine desulfurase IscS 2 | / | 0.451 | |
| 3ioc | A5D | Pantothenate synthetase | 6.3.2.1 | 0.449 | |
| 1h73 | ANP | Homoserine kinase | 2.7.1.39 | 0.448 | |
| 2a9y | 26A | Adenosine kinase | 2.7.1.20 | 0.448 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.448 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.448 | |
| 1bwl | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.447 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.447 | |
| 4acx | S8Z | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 1fcb | FMN | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.446 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.446 | |
| 2npi | ATP | mRNA cleavage and polyadenylation factor CLP1 | / | 0.446 | |
| 3t4e | NAD | Quinate/shikimate dehydrogenase | / | 0.446 | |
| 1icq | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.445 | |
| 2q3r | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.445 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.444 | |
| 3wyc | NAP | Meso-diaminopimelate D-dehydrogenase | 1.4.1.16 | 0.444 | |
| 1ja1 | FMN | NADPH--cytochrome P450 reductase | / | 0.443 | |
| 3coy | 53H | Pantothenate synthetase | 6.3.2.1 | 0.443 | |
| 3i0p | NAD | Malate dehydrogenase, putative | / | 0.443 | |
| 4jic | FMN | GTN Reductase | / | 0.443 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 1n2j | PAF | Pantothenate synthetase | 6.3.2.1 | 0.441 | |
| 2g25 | TDK | Pyruvate dehydrogenase E1 component | 1.2.4.1 | 0.441 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.441 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.441 | |
| 3jus | BCD | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.441 | |
| 3zxi | TYA | Tyrosine--tRNA ligase, mitochondrial | 6.1.1.1 | 0.441 | |
| 5fd8 | A5A | Putative carboxypeptidase yocD | / | 0.441 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.441 | |
| 2iyf | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.440 | |
| 3fr5 | I4A | Fatty acid-binding protein, adipocyte | / | 0.440 |