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. Author manuscript; available in PMC: 2016 Jan 1.
Published in final edited form as: J Am Chem Soc. 2015 Jul 22;137(30):9543–9546. doi: 10.1021/jacs.5b05891

Figure 1.

Figure 1

Structures of BACE1 and the inhibitor OM99-2. A. Cartoon representation of apo BACE1 (PDB ID: 1SGZ) with the catalytic dyad (Asp32 and Asp228) colored orange and the flap (β-hairpin loop, residues 68–77) colored red. B. Active site of BACE1. Asp32, Asp228 and bridging water are shown in stick model. Polar (green) and hydrophobic (white) residues within 5 Å and 7 Å of Asp32/Asp228 are depicted as solid and transparent surfaces, respectively. C. The central hydroxyethylene group (Leu*Ala) of the peptidomimetic inhibitor OM99-2. The entire sequence is Glu-Val-Asn-Leu*Ala-Ala-Glu-Phe.