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The HIVToolbox 2 Web System Integrates Sequence, Structure, Function and Mutation Analysis

Figure 3

Drug Binding Site structure window and table.

A. Drug Binding Site structure window showing the structure of HIV protease:Saquinavir complex (1C6Z) with drug binding site for Saquinavir colored. The coloring scheme for the DRMs is as in Fig. 2 with an additional color for binding site residues that do not have a known DRM (orange). B. Information for each Drug Binding Site Residue is shown in a table that is color-coded using the same coloring scheme. A distance threshold between atoms of the drug and atoms of the protein (2.5–4.0 Å) can be set using a pulldown menu; 4.0 Å was set in this figure. This table provides the chain:position of the amino acid, distance, whether it is a DRM, and the type of DRM. The first column of this sortable table is interactive, where a mouse click identifies the amino acid in the structure of the Drug Binding Site window (A).

Figure 3

doi: https://doi.org/10.1371/journal.pone.0098810.g003