Structural Basis of the Selective Block of Kv1.2 by Maurotoxin from Computer Simulations
Figure 1
(A) The secondary structure of MTx (PDB ID 1TXM [32]). α-Helix is shown in purple and β-sheets in yellow. The side chains of four key residues are highlighted. (B) Sequence alignment of the pore domains of Kv1.1, Kv1.2 and Kv1.3. Key different residues are highlighted in green. The P-loop turret and selectivity filter regions are indicated with horizontal bars. Numbering is that of Kv1.2. (C) Pore domain of Kv1.2 (PDB ID 3LUT [30]) viewed perpendicular to the channel axis. Two channel subunits are shown. The side chain of Asp355 and the backbone carbonyl groups of Thr373 and Asp379 are highlighted. Green spheres represent the two K+ ions in the selectivity filter. The two water molecules in the selectivity filter are also shown.