Figure 6

Structural depiction of CHIKV envelope glycoprotein E1-E2 heterodimer and chebulinic acid in their docked conformations. (a) Surface diagram of CHIKV E1-E2 heterodimer with docked conformations of CA molecules. The two chains of the heterodimer, E1 and E2, are represented in green and blue colors, respectively. The CA molecules bound at the pockets located at domain A and B interface of E2, and N-terminus of E2 within domain A, are depicted in sticks with carbon color scheme of pink and cyan, respectively. The oxygen and hydrogen atoms of the CA molecules are represented in red and white colors, respectively. This diagram has been prepared using the molecular visualization system PyMOL⁴⁷. Schematic depiction of CHIKV E2-CA interactions at (b) pocket located at domain A and B interface of E2 (c) pocket located at the N-terminus of E2 within domain A, those are mediated by hydrogen bonds (dashed green lines) and by hydrophobic contacts (red arcs with spokes). These diagrams are generated by software LigPlot^45,46.