Volume 92, Issue 1, Pages L07-L09 (January 2007)

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Volume 92, Issue 1, Pages L07-L09 (January 2007) SGTx1, a Kv Channel Gating-Modifier Toxin, Binds to the Interfacial Region of Lipid Bilayers Chze Ling Wee, Daniele Bemporad, Zara A. Sands, David Gavaghan, Mark S.P. Sansom Biophysical Journal Volume 92, Issue 1, Pages L07-L09 (January 2007) DOI: 10.1529/biophysj.106.098681 Copyright © 2007 The Biophysical Society Terms and Conditions

Figure 1 Starting depths of the toxin for the atomistic simulations (SGTx1 in POPC shown). The z axis of the simulation box corresponds to the bilayer normal. Distances (in angstroms) are relative to the bilayer center of mass. SGTx1 is shown at a starting depth of 23.5Å. The hydrophobic, basic, acidic, and polar residues of SGTx1 are shown in green, blue, red, and white, respectively. POPC carbon, oxygen, nitrogen, and phosphorus atoms are shown in cyan, red, blue, and gold, respectively. The water molecules are shown in light blue. Biophysical Journal 2007 92, L07-L09DOI: (10.1529/biophysj.106.098681) Copyright © 2007 The Biophysical Society Terms and Conditions

Figure 2 Average displacement of the toxin from the different toxin starting depths during the course of the SGTX-PEPG simulation. Bars represent standard deviation. Gray arrows indicate the directionality of movement of the toxin relative to the bilayer. Biophysical Journal 2007 92, L07-L09DOI: (10.1529/biophysj.106.098681) Copyright © 2007 The Biophysical Society Terms and Conditions

Figure 3 Distance of toxin center of mass from bilayer center of mass measured along the bilayer normal for the coarse-grained simulations; SGTX-PC-CG (dark gray) and SGTX-PEPG-CG (black). The inset is for SGTX-PEPG-CG, shown over a 10ns duration. Biophysical Journal 2007 92, L07-L09DOI: (10.1529/biophysj.106.098681) Copyright © 2007 The Biophysical Society Terms and Conditions

Figure 4 Distribution of lipid headgroup and toxin charged groups at the membrane/water interface for simulations (A) SGTX-PC-CG and (B) SGTX-PEPG-CG, both from t=50 to 200ns. In A, the black line shows the distribution of the phosphates of POPC. In B, the phosphate of POPE (black) and POPG (gray) are shown separately. The distributions of basic and acidic residues are in blue and red, respectively. Biophysical Journal 2007 92, L07-L09DOI: (10.1529/biophysj.106.098681) Copyright © 2007 The Biophysical Society Terms and Conditions