Structural and Affinity Determinants in the Interaction between Alcohol Acyltransferase from F. x ananassa and Several Alcohol Substrates: A Computational Study
A) SAAT homology model. Helix structures are colored in red, while beta-sheet structures in cyan. The motif HXXXD is represented in licorice representation on green, while the highly conserved DFGWG motif is represented in ball and stick representation on blue B) Electrostatic surface potential at SAAT front face. C) Electrostatic surface potential at SAAT back face. The potential energy surface was measured by Pymol v1.6 software (The PyMOL Molecular Graphics System, Version 1.6 Schrödinger, LLC.) using APBS plugin .