ZFIN Image: Janoš et al., 2022, Figure 4

Image

Figure Caption

Figure 4 (A) Binding mode of azosemide (AZO) from the representative structure of the most populated cluster extracted from the molecular dynamics (MD) trajectory. (B) 2D schematic representation of the AZO/zNKCC1 interactions. (C) Binding mode of furosemide (FUR) from the representative structure of the most populated cluster extracted from the MD trajectory. (D) 2D schematic representation of the FUR/zNKCC1 interactions. (E) Binding mode of ethacrynic acid (ETH) from the representative structure of the most populated cluster from the MD trajectory. (F) 2D schematic representation of the ETH/zNKCC1 interactions. Polar/charged protein residues are colored blue, while the others are colored green. Waters and ions are colored gray. The most important protein residues, identified by alanine scanning analysis, are highlighted in dashed circles.

Acknowledgments

This image is the copyrighted work of the attributed author or publisher, and ZFIN has permission only to display this image to its users. Additional permissions should be obtained from the applicable author or publisher of the image. Full text @ Int. J. Mol. Sci.