Lipidated apolipoprotein E4 structure and its receptor binding mechanism determined by a combined cross-linking coupled to mass spectrometry and molecular dynamics approach
Fig 4
Structural models of apoE4 at the surface of a nanodisc.
The structural modeling produces two different models of monomeric lipidated apoE4: the opened hairpin (A) and the compact hairpin (B) models that fulfill 12 and 19 out of 22 experimental XL restraints, respectively. For each model two views are shown, from the top of the lipid disc (upper) and rotated by 90° reflecting a view from the inside of the lipid bilayer of the nanodisc (lower). Cross-links with satisfied distance restraints within their respective models are shown as black lines. The secondary structure elements are colored as in Fig 3.