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. 2017 Feb 13;7:42374. doi: 10.1038/srep42374

Figure 3. Comparing the binding modes of HAP_R01 and SBA_R01.

Figure 3

The compound binding pocket at B-C interface is shown as an exemplary site. Chain B and Chain C of Y132A-HAP_R01 structure are colored in light green and dark green respectively. Chain B and Chain C of Y132A-SBA_R01 structure are colored in light grey and dark grey respectively. Key residues in the concave and the cap are shown in sticks. Black dash lines indicate hydrogen bonds between compounds and core protein. (a) Y132A-HAP_R01 structure. Carbon atoms of HAP_R01 are represented in cyan stick. Red dash lines mark the potential labeling reactions between photoprobes and their labeling residues in WT capsid. (b) Y132A-SBA_R01 structure. Carbon atoms of SBA_R01 are represented in pink stick. (c) Overlay of HAP_R01 and SBA_R01 binding pockets. HAP_R01 and SBA_R01 are also highlighted in transparent molecular surface with cyan and pink color respectively. Upper panel: top view from spike to contact domain. Lower panel: selected side view for clear representation of ligand-protein interactions.