Modelling muscle motor conformations using low-angle X-ray diffraction

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Published 31/07/2012

Abstract

New results on myosin head organization using analysis of low-angle X-ray diffraction patterns from relaxed insect flight muscle (IFM) from a giant waterbug, building on previous studies of myosin filaments in bony fish skeletal muscle (BFM), show that the information content of such low-angle diffraction patterns is very high despite the ‘crystallographically low’ resolution limit (65 Å) of the spacings of the Bragg diffraction peaks being used. This high information content and high structural sensitivity arises because: (i) the atomic structures of the domains of the myosin head are known from protein crystallography; and (ii) myosin head action appears to consist mainly of pivoting between domains which themselves stay rather constant in structure, thus (iii) the intensity distribution among diffraction peaks in even the low resolution diffraction pattern is highly determined by the high-resolution distribution of atomically modelled domain mass. A single model was selected among 5000+ computer-generated variations as giving the best fit for the 65 reflections recorded within the selected resolution limit of 65 Å. Clear evidence for a change in shape of the insect flight muscle myosin motor between the resting (probably like the pre-powerstroke) state and the rigor state (considered to mimic the end-of-powerstroke conformation) has been obtained. This illustrates the power of the low-angle X-ray diffraction method. The implications of these new results about myosin motor action during muscle contraction are discussed.

Inspec keywords: biomechanics; proteins; simulated annealing; molecular configurations; X-ray diffraction; muscle

Other keywords: muscle motor conformations; giant waterbug; Bragg diffraction peaks; myosin head organization; low-angle X-ray diffraction; computer-generated variations; contractile cycle; high structural sensitivity; atomically modelled domain mass; high-resolution distribution; bony fish muscle; lattice-ordered myosin; relaxed insect flight muscle

Subjects: Biomechanics, biorheology, biological fluid dynamics; External and internal data communications, nerve conduction and synaptic transmission; Biomolecular structure, configuration, conformation, and active sites; Interactions with radiations at the biomolecular level

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