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. Author manuscript; available in PMC: 2019 Mar 7.
Published in final edited form as: J Am Chem Soc. 2018 Feb 26;140(9):3242–3249. doi: 10.1021/jacs.7b09360

Figure 2.

Figure 2.

Docking of LDL-Adln (gold) and LDLL-1dlnr (silver) onto PCSK9. (a) Compounds LDL-Adln and LDLL-1dlnr overlay on the LDLR (shown in magenta wire), in which six Cα−Cβ atoms of chemotypes and LDLR side chains (green arrows) are compared; RMSD = 1.75 and 1.95 Å for LDL-Adln and LDLL-1dlnr, respectively. (b) The improving binding affinity of LDLL-1dlnr is likely due to the H-bonds of the Arg residue to the Asp367 of PCSK9 at a negative “cliff face” region, as indicated by green lines.