Stepwise induced fit in the pico- to nanosecond time scale governs the complexation of the even-skipped transcriptional repressor homeodomain to DNA.
作者： Wolfgang Flader , Bernd Wellenzohn , Rudolf H. Winger , Andreas Hallbrucker , Erwin Mayer
DOI: 10.1002/BIP.10242
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摘要: Induced fit effects in the complex of a DNA decamer with two even-skipped transcriptional repressor homeodomain molecules were investigated by means molecular dynamics simulations. Dynamics these are found to be time scale from pico- nanoseconds. First steps made fast-moving backbone phosphates, which upon binding change their BI/BII substate distribution. Further rearrangements double helix induced complexation, like bending axis, changes minor groove width, and different helical parameters, slower occur within few The flexibility DNA, especially its backbone, seems thereby play an important role for specific ligand recognition. © 2002 Wiley Periodicals, Inc. Biopolymers 68: 139–149, 2003
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