Advertisement
Browse Subject Areas
?

Click through the PLOS taxonomy to find articles in your field.

For more information about PLOS Subject Areas, click here.

< Back to Article

Structural and Affinity Determinants in the Interaction between Alcohol Acyltransferase from F. x ananassa and Several Alcohol Substrates: A Computational Study

Fig 4

Main distances established between ligands and catalytic residues at the SAAT active site during 30 ns of MD simulations.

(A) Distances between the oxygen atom of the alcohols and the carbonylic carbon of the acetyl-CoA (dHO•••O = C-AcCoA); (B) Distances between the oxygen atom of the alcohols and the Nε of the His157 (dHO•••Nε-His157). Distances for octanol, hexanol, butanol and benzyl alcohol are represented in black, red, blue and green lines, respectively.

Fig 4

doi: https://doi.org/10.1371/journal.pone.0153057.g004