Fig. 2.

Fer-1 binds 15LOX2/PEBP1 complex and affects its functional dynamics. a) Fer-1 binding poses (red sticks) cluster in three regions (sites 1–3). b) Histograms of binding population counts (ordinate) and corresponding binding energies (abscissa) for each site. Note the sharp difference between sites 1,3 and 2, where binding occurs to 15LOX2/PEBP1 (red-bars) only. c) Comparison of global dynamics of 15LOX2/PEBP1 complex in absence (red-curve) and presence of Fer-1 (black-curve). d) Final conformers (at100 ns) observed in MD simulations of PEBP1 binding to 15LOX2, with (right) and without (left) Fer-1. (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)