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. Author manuscript; available in PMC: 2015 Sep 2.
Published in final edited form as: Nat Commun. 2015 Mar 2;6:6250. doi: 10.1038/ncomms7250

Figure 3.

Figure 3

Complexes with fluorophosphonate inhibitors help define the catalytic cycle of LPLA2. (a) IDFP (cyan sticks) occupying track A (cf. Supplementary Fig. 5a). Wire cages in panels a-c correspond to 2.5 σ |Fo|-|Fc| omit maps. (b) MAFP (cyan sticks) occupying track B. (c) Backbone amides of Asp13 and Met166 form the oxyanion hole of LPLA2 and coordinate the phosphonate group. (d) Model of POPC (spheres) bound in the active site such that its sn-2 chain occupies track A, and sn-1 chain track B. The head group (light grey spheres) is coordinated by Lys202, Asp211, and Thr329. (e) After dissociation of the lysophosphatidylcholine product, the acyl intermediate remains in track A, which would allow His359 to deprotonate an incoming alcohol nucleophile. (f) Model of NAS (blue spheres, cyan acetyl group) bound in track B.