Molecular simulations and free-energy calculations suggest conformation-dependent anion binding to a cytoplasmic site as a mechanism for Na⁺/K⁺-ATPase ion selectivity

Keyphrases

• Anion Binding 100%
• Anions 16%
• Binding Selectivity 33%
• Binding Stoichiometry 33%
• Cell Membrane 16%
• Chloride Ion 16%
• Conformational Transition 33%
• Electrostatic Potential 16%
• Extracellular Milieu 16%
• Free Energy Calculations 100%
• Free Energy Perturbation 16%
• Helix 8 16%
• Ion Binding Sites 16%
• Ion Selectivity 100%
• K+-ATPase 100%
• Mechanistic Model 16%
• Molecular Mechanism 16%
• Molecular Simulation 100%
• Na + 100%
• Perturbation Approach 16%
• Protonation State 33%
• Transmembrane Helix 16%

Biochemistry, Genetics and Molecular Biology

• Binding Site 33%
• Cell Membrane 33%
• Conformation 100%
• Conformational Change 66%
• Enzyme 33%
• Na+/K+-ATPase 100%
• Protonation 66%
• Sodium Transport 33%
• Static Electricity 33%
• Stoichiometry 66%