FIGURE

Figure 3

ID

ZDB-FIG-221214-207

Publication

Janoš et al., 2022 - Role of Monovalent Ions in the NKCC1 Inhibition Mechanism Revealed through Molecular Simulations

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Figure 3

(A) Binding mode of bumetanide (BUM) to zebrafish (z)NKCC1 taken from a representative structure of the most populated cluster extracted from the molecular dynamics (MD) trajectory. (B) 2D schematic representation of the BUM/zNKCC1 interactions. (C) Binding mode of BUM to human (h)NKCC1 taken from a representative structure of the most populated cluster extracted from the MD trajectory. (D) 2D schematic representation of the BUM/hNKCC1 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 by dashed circles.

Expression Data

Expression Detail

Antibody Labeling

Phenotype Data

Phenotype Detail

Acknowledgments

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