Structure-Based Statistical Mechanical Model Accounts for the Causality and Energetics of Allosteric Communication
Fig 3
Free energy profiles and structural representatives.
(A) bovine glutamate dehydrogenase BGDH free energy profile Δgi(0 → 6xADP) with marked residue positions of the GTP, NDP, GLU, and ADP binding sites. (B) Catabolite activator protein (CAP) free energy profile Δgi(0 → 2xcAMP) with marked locations of the cAMP and DNA binding sites. (C) The 3-Deoxy-D-arabinoheptulosonate 7-phosphate synthase DAHPS free energy profile Δgi(0 → 4xPHE) with marked positions of the PHE and PGA binding sites. (D) The dihydroxyacetone kinase DAK free energy profile Δgi(0 → 2xANP), ANP and ARG are ligands.