Table 2. Calculation of binding site properties of wild and T164I variant β2AR.
Binding site topology | Wild | T164I variant | T164I variant /Wild | Surface/Volume for Wild | Surface/ Volume for T164I variant |
---|---|---|---|---|---|
Volume [ų] | 404.48 | 520.70 | 1.28 | 1.67 | 1.60 |
Surface [Ų] | 676.52 | 834.92 | 1.23 | ||
Depth [Å] | 22.72 | 32.67 | 1.43 | ||
Functional group descriptors (n) | |||||
Hydrogen bond donors | 26 | 18 | |||
Hydrogen bond acceptors | 116 | 112 | |||
Metals | 0 | 0 | |||
Hydrophobic interactions | 114 | 82 |