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. Author manuscript; available in PMC: 2014 Jul 7.
Published in final edited form as: J Phys Chem B. 2013 Mar 12;117(11):3063–3073. doi: 10.1021/jp312576v

Figure 10.

Figure 10

MD representative snapshots (at t=50 ns) of apo (left) and PRFAR bound (right) IGPS complexes, showing H-bonds between hP10 (Ω -loop, in green) and hV51 (oxyanion strand, in blue) (panel a) and partial reorientation of the oxyanion strand triggered by PRFAR binding (panel b). Thermal fluctuations of the 49-PGVG backbone are shown (sticks colored from red to blue for 0–50 ns) highlighting the NH amide group of hV51 (larger sticks). Apo (C) and PRFAR bound (D) average structures (colored cartoons) and Gln binding site (hC84, colored sticks) are also shown. Adapted from Reference 21.