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Fig. 6 | Cell Communication and Signaling

Fig. 6

From: Simulation of gap junction formation reveals critical role of Cys disulfide redox state in connexin hemichannel docking

Fig. 6

Presumed Cys disulfide exchange controlled formation of stabilization centers (SCs) orients Cx43 HC docking. A Graph representation of extracellular SCs in the GJC built from two opposing HCs after distance between the HCs set to 3 Å. Nodes represent residues, edges represent SCs formed between given residues. Data of all subunits during the whole 100 ns MD run is summarized into a single graph. Size of the nodes corresponds to the number of SCs the given residue is participated in. Width of the edges corresponds to the stability of the given SC during the 100 ns MD run. Cys residues are highlighted by yellow nodes. B 3D structure of subunits A (green) and J (purple) in the GJC built from two opposing HCs after distance between the HCs set to 3 Å. Interface residues (55N-56T-57Q) are shown in green and purple stick representations on the A and J subunits, respectively. Cys residues are shown in yellow stick representation. SC associations identified in A are shown in cyan and brown surf representations

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