Allosteric communication in Dihydrofolate Reductase: Signaling network and pathways for closed to occluded transition and back

Details Allosteric communication in Dihydrofolate Reductase: Signaling network and pathways for closed to occluded transition and back Allosteric communication in Dihydrofolate Reductase: Signaling network and pathways for closed to occluded transition and back

2007-08-15

arxiv.org/abs/0708.2083v1

Biology

Quantitative Biology

Biomolecules

43 pages, 12 figures

Scientific paper

E. Coli. dihydrofolate reductase (DHFR) undergoes conformational transitions between the closed (CS) and occluded (OS) states which, respectively, describe whether the active site is closed or occluded by the Met20 loop. A sequence-based approach is used to identify a network of residues that represents the allostery wiring diagram. We also use a self-organized polymer model to monitor the kinetics of the CS->OS and the reverse transitions. a sliding motion of Met20 loop is observed. The residues that facilitate the Met20 loop motion are part of the network of residues that transmit allosteric signals during the CS->OS transition.

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