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. Author manuscript; available in PMC: 2015 Apr 1.
Published in final edited form as: Hematol Oncol Clin North Am. 2014 Jan 21;28(2):217–231. doi: 10.1016/j.hoc.2013.11.001

Figure 5.

Figure 5

Superposition of bound 5-HMF (cyan), INN-312 (yellow) and INN-298 (magenta) molecules in the quaternary R2 structures. The Hb molecule (grey) is shown for that of the 5-HMF complex. All three AEHs form Schiff-base interaction with the αVal1 nitrogen. The meta-positioned methoxypyridine substituent (relative to the aldehyde moiety) in INN-298 is directed toward the center of the water cavity, while the ortho-positioned methoxypyridine substituent in INN-312 is directed toward the surface of the Hb to make contact with F helix, which has been implicated in polymer formation.