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Coherent Conformational Degrees of Freedom as a Structural Basis for Allosteric Communication

Figure 5

GTP cyclohydrolase I (GTPCHI) with feedback regulatory protein (GFRP).

(A) Top: the matrix DPQ for the whole protein. Bottom left: selected sections of the top matrix. Bottom right: same section as left panel, but calculated for structure without GFRP. (B) Structure (1wpl). The GTPCHI decamer is drawn in cyan, and the two GFRP pentamers in white. The inhibitor BH2 is drawn with orange spheres and the Zn at the catalytic site in yellow. (C) Communication DPi between one BH2-site and the rest of the protein. The color scheme is the same as in Figure 4. (D) Communication between one of the active sites and the rest of the protein. (E) Same as (D) but normal modes and docking calculations were done without GFRP.

Figure 5

doi: https://doi.org/10.1371/journal.pcbi.1002301.g005