kisene

Figure X. Isoflurane interacting with unique docking pocket
inside Cxs homology models which are shown as ribbon.
Residues in close range (< 3Ã) with ligand are named and shown as sticks.


Specific biding pocket differences between different Cxs were investigated (Figure X).
All Cxs were aligned.
Isoflurane was placed inside unique docking pocket in same conformation
 as it docks into
Cx36. Side chains in close range with isoflurane were highlighted as sticks.
Such setup allows easy comparison of that docking pocket or homologous
positions.
Only Cx36 and Cx47 has unique docking pocket (Figure 2).
That docking pocket in Cx47 can defined as GLN212, TYR91, GLU11 and GLU12.
Same docking pocket in Cx36 appears as GLN202, PHE93, GLU12 and ALA13.
Those positions of amino acids are homologous.
Docking pocket is blocked by ARG143, TYR136 in Cx30.2
 by TYR91, ARG184 in Cx45 and by TYR17, LYS162 in Cx43.
Cx26 docking pocket is not sterically blocked, but it
lacks aromatic ring like PHE93 inside Cx36 or TYR91
inside Cx47 thus it can not accommodate same compounds.