Figure 5.

Docking of Chol on hPL SCR. A short part of TM31C, [²⁹⁸FLIDFMFFESTGSQ³¹¹], contains the highest enthalpic interaction with Chol. (A) Detailed analysis of the energetics of Chol interaction with the protein TMD and other surrounding amino acids that presumably are involved in the interaction. (B) Surface view of the complex, with important amino acid side chains presented as interacting with the sterol. The TMD amino acid M³⁰³ is represented as Met-16, which interacts with the Chol ring structure, and the C-terminal coil amino acids S³⁰⁹ and Q³¹¹, which interact with the small polar alcohol headgroup, are represented as Ser-23 and Gln-24 respectively. E³⁰⁶, at the end of TMD (which is not represented), contains the highest enthalpic interaction with Chol. (C) Overall illustration of the interaction of scramblase TMD C-ter coil (in blue) and Chol.