Fig. 2: pH sensitivity of the GluA2 BD NTD interface.

a, Overlay of two (monomeric) GluA2 NTD crystal structure models, determined at acidic (red) and neutral (blue) conditions. The pH-dependent rearrangements of H208 and F231, away from the interface (bend, black arrows), are boxed and are magnified in the right panel. b, MD simulation of the NTD tetramer (PDB 3H5V), showing large r.m.s.d. changes at acidic pH (red traces) but not at neutral pH (blue). Four runs are shown for each. c, Positions of the H208 and F231 side chains (line format) at the end of the simulations, mapped onto the crystal structures (stick format). Red sticks, PDB 3HSY; blue sticks, PDB 3H5V. Simulation conditions at pH 8.0 (top) and pH 5.5 (bottom) are shown. H208 is mostly flipped downward throughout the runs at acidic pH (red ellipsoid) but not at neutral pH (blue ellipsoid). F231 largely remains unchanged (matching PDB 3H5V).