Table 2. Key Residues of the 12–α-Cbtx Interaction (PDB 6ZFM) in Comparison to the nAChR−α-Bgtx Complex.
α-Cbtx | 12-A | 12-B | α-Bgtx | nAChR (PDB 6UWZ) |
---|---|---|---|---|
D27 | Y7 (H bond) | Y1 (H bond) | D30 | αY190 (H bond) |
F29 | W6 (π–π) | F32 | γW55/δW57, αW149 (hydrophobic) | |
R33 | W3, Y7 (cation−π) | Y1, W6 (cation−π) | R36 | Y190α, Y198α (cation−π); γW55/δW57, αW149 (hydrophobic) |
R36 | D4 (salt bridge) | Y1 (hydrophobic) | V39 | |
F65 | W6 (hydrophobic) | H68 | backbone (H-bond) |