Ligand–Receptor Interactions
| Lig Atom |
Residue |
Rec Atom |
Type |
Dist (Å) |
Interaction Cutoffs
Hydrogen Bond≤ 3.5 Å
Salt Bridge≤ 4.0 Å
Halogen Bond≤ 3.5 Å
π-π Stacking≤ 5.0 Å
Cation-π≤ 5.0 Å
Hydrophobic≤ 4.0 Å
Van der WaalsrA+rB+0.8 Å
References: Jeffrey (1997) "An Introduction to H-Bonding"; Barlow & Thornton (1983); Cavallo et al. (2016) Chem. Rev. 116, 2478; Hunter & Sanders (1990) JACS 112, 5525; Dougherty (1996) Science 271, 163; Bondi (1964) JPC 68, 441; PLIP (Adasme et al. 2021).