Role of gamma carboxylated Glu47 in connexin 26 hemichannel regulation by extracellular Ca2+: Insight from a local quantum chemistry study

- QM calculations show that Ca2+ binds to γGlu47 in connexin hemichannels.
- Molecular models of increasing size are employed in hybrid DFT calculations.
- Ca2+ binding affects the interaction between γGlu47 and Arg75, Arg184.
- Ca2+ binding alters the structure in a critical region of connexin hemichannels.