Structure-Based Statistical Mechanical Model Accounts for the Causality and Energetics of Allosteric Communication
Fig 5
Free energy profiles and structural representatives of (A) G6PD, (B) NADME, (C) SSUPTR, and (D) ThrS.
(A) 6-mer glucose-6-phosphate dehydrogenase G6PD free energy profile Δgi(0 → 6x16G) with marked locations of the 16G and AGP binding sites. (B) Malate dehydrogenase (decarboxylating) enzyme NADME free energy profile Δgi(0 → 4xFUM) with indicated positions of ATP, NAD and FUM binding sites. (C) Sulfolobus solfataricus uracil phosphoribosyltransferase SSUPTR free energy profile Δgi(0 → 4xCTP) with marked CTP and U5P binding sites. (D) Threonine synthase ThrS free energy profile Δgi(0 → 2xSAM) with shown locations of the TRS, SAM and LPP binding sites.