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 |
---|---|---|---|
2fjm | 073 | Tyrosine-protein phosphatase non-receptor type 1 | 3.1.3.48 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
2fjm | 073 | Tyrosine-protein phosphatase non-receptor type 1 | 3.1.3.48 | 1.000 | |
1q6s | 214 | Tyrosine-protein phosphatase non-receptor type 1 | 3.1.3.48 | 0.461 | |
1q6n | P90 | Tyrosine-protein phosphatase non-receptor type 1 | 3.1.3.48 | 0.448 | |
2g28 | TDK | Pyruvate dehydrogenase E1 component | 1.2.4.1 | 0.445 |