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 |
|---|---|---|---|
| 3kdt | 7HA | Peroxisome proliferator-activated receptor alpha |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3kdt | 7HA | Peroxisome proliferator-activated receptor alpha | / | 1.000 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.483 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.462 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.461 | |
| 3vn2 | TLS | Peroxisome proliferator-activated receptor gamma | / | 0.457 | |
| 2i4p | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.454 | |
| 2om9 | AJA | Peroxisome proliferator-activated receptor gamma | / | 0.451 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.450 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.449 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.449 | |
| 2h9i | EAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 3ad9 | NAD | Subunit alpha of sarocosine oxidase | / | 0.448 | |
| 2hfp | NSI | Peroxisome proliferator-activated receptor gamma | / | 0.446 | |
| 3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.444 | |
| 4ktk | KTK | Cytochrome P450 | / | 0.444 | |
| 4xuh | SFI | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.442 | |
| 2zno | S44 | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 4g2g | TDH | Mycocyclosin synthase | 1.14.21.9 | 0.440 |