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Figure 2 | Cell Communication and Signaling

Figure 2

From: The 3.5 ångström X−ray structure of the human connexin26 gap junction channel is unlikely that of a fully open channel

Figure 2

MD simulation of the calcein permeation process. (A) black trace: PMF of permeation through the hCx26wt hemichannel vs. axial position (z) with the calcein molecule in a fully charged state; blue trace: hemichannel pore radius green trace: entropic contribution to the PMF due to translational motion of calcein within the pore; note that this contribution is not sufficient to justify the high free energy barrier encountered by calcein (black trace). (B) Hemichannel section (side view) shown in register with the graphs of panel A; two connexin protomers are drawn in ribbon style; colors encode structural domains; a calcein molecule (green) and two residues that strongly interact with it (Met1, yellow, and Lys41, blue) are drawn in ball−and−stick style. (C) Views from the extracellular side of the hemichannel in four different umbrella sampling simulations.

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Cell Communication and Signaling

ISSN: 1478-811X