Structural Insights from Binding Poses of CCR2 and CCR5 with Clinically Important Antagonists: A Combined In Silico Study
Figure 6
Top views of putative binding pockets after MD simulation for docking analyses.
(a) CCR2 transmembrane (TM) helices are shown in light green, whereas, constructed binding pocket residues were shown in smudge green sticks. All the TM regions are labeled by blue color on the top of helices. The binding pocket is also represented as transparent molecular surfaces. (b) CCR5 TM helices are shown in light brown color, whereas constructed binding pocket residues were shown in green sticks. Figure generated using Pymol program (http://www.pymol.org).