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 |
|---|---|---|---|
| 3qvs | NAD | Myo-inositol-1-phosphate synthase (Ino1) |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3qvs | NAD | Myo-inositol-1-phosphate synthase (Ino1) | / | 1.000 | |
| 3qvw | NAD | Myo-inositol-1-phosphate synthase (Ino1) | / | 0.727 | |
| 3qvt | NAI | Myo-inositol-1-phosphate synthase (Ino1) | / | 0.676 | |
| 3qvx | NAD | Myo-inositol-1-phosphate synthase (Ino1) | / | 0.579 | |
| 3qw2 | NAD | Myo-inositol-1-phosphate synthase (Ino1) | / | 0.577 | |
| 1u1i | NAD | Myo-inositol-1-phosphate synthase (Ino1) | / | 0.556 | |
| 1la2 | NAD | Inositol-3-phosphate synthase | 5.5.1.4 | 0.497 | |
| 2nu9 | COA | Succinate--CoA ligase [ADP-forming] subunit alpha | 6.2.1.5 | 0.479 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.471 | |
| 3zdf | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.457 | |
| 1p1i | NAD | Inositol-3-phosphate synthase | 5.5.1.4 | 0.452 | |
| 4dfg | 0JV | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
| 2v2q | NVG | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.444 | |
| 3i7e | DJR | Gag-Pol polyprotein | / | 0.444 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.443 | |
| 2g82 | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.441 | |
| 2nua | COA | Succinate--CoA ligase [ADP-forming] subunit alpha | 6.2.1.5 | 0.440 | |
| 4z63 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.440 |