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. 2012 Apr 2;109(16):6247–6252. doi: 10.1073/pnas.1119817109

Fig. 5.

Fig. 5.

Molecular basis of the interaction of compound 1 with PA. (A) FLAP best pose for compound 1 in FluA PA. Certain residues highly conserved in FluA viruses are reported in sticks mode. Among them, residues that are known to interact with PB1 are reported in ivory color, whereas K643 is reported in gray color. (B) Alignment of the homology model of FluB PA (in blue) on the crystal structure of the PA subunit of FluA virus (in ivory). Certain residues conserved in FluA and FluB viruses are reported in sticks mode. Black and red numbering refer to FluA and FluB, respectively. (C) FluA and FluB PA cavities (in black and blue lines, respectively) projected in the compound 1 2D-structure plane. Labels report the residues (for FluA PA in black, for FluB PA in red) showing higher interaction energies with compound 1.