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 |
|---|---|---|---|
| 2qqf | A1R | NAD-dependent protein deacetylase HST2 | 3.5.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2qqf | A1R | NAD-dependent protein deacetylase HST2 | 3.5.1 | 1.000 | |
| 1szc | CNA | NAD-dependent protein deacetylase HST2 | 3.5.1 | 0.631 | |
| 2od7 | A1R | NAD-dependent protein deacetylase HST2 | 3.5.1 | 0.623 | |
| 3glu | LYS_VAL_MET | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.513 |