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Proteins are Quantum Mechanical Machines

Proteins are Quantum Mechanical Machines. Leonor Cruzeiro CCMAR and FCT, University of Algarve. The F0 F1 ATP synthase. The VES hypothesis: the first step in protein function is the storing of energy in the form of quantum V ibrational E xcited S tates.

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Proteins are Quantum Mechanical Machines

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  1. Proteins are Quantum Mechanical Machines Leonor Cruzeiro CCMAR and FCT, University of Algarve

  2. The F0 F1 ATP synthase The VES hypothesis: the first step in protein function is the storing of energy in the form of quantum Vibrational Excited States. Conformational changes are driven by transient forces that arise from VES. [J.Phys.:Cond. Matter 17: 7833 (2005), JPOC 21: 549 (2008)].

  3. VES: the drivers of conformational changes ? Chemical Reactions  Quantum Processes Quantum states(VES) The question is thus not whether there are VES states in proteins, but: A • What form they take • How long they last, • What role they have Davydov/Scott model: • Amide I vibrations • ps • Energy transfer without dissipation

  4. The Davydov/Scott Model H N C O

  5. Generalized Davydov/Scott Model

  6. Equations of motion for amide I transport

  7. First Application of the VES hypothesis: the structural instability of prions • Prions have large amounts of amino acids Gln and Asn. • Gln and Asn are the only two amino acids that can have amide I vibrations in their residues. • Without Gln and Asn, proteins can only exchange amide I vibrations through their backbones; but Gln and Asn can divert energy from the protein backbone to their residues. • The amide I mode is resonant with the bending mode of water.

  8. First Application of the VES hypothesis: the structural instability of prions Red < 0.3 Yellow – [0.3,0.6] Green – 1 Blue - > 1 PDB1QLX Leu 125-Arg 228

  9. First Application of the VES hypothesis: the structural instability of prions

  10. Average Vibrational Energy Transfer to and from water From water To water L. Cruzeiro, J. Phys.: Cond. Matter 17: 7833 (2005)

  11. Second Application of the VES hypothesis: Huntington’s disease

  12. Average Vibrational Energy Transfer to and from water from poly-glutamine-helix From water To water L. Cruzeiro, J. Phys. Org.Chem 21: 549 (2008)

  13. Third Application of the VES hypothesis: Amide I band of an alpha-helix χ>0 χ<0 Thick line |χ|=62 pN, thin line |χ|=15 pN, very thin line χ=0 L. Cruzeiro, J. Chem. Phys. 123: 234909 (2005)

  14. Proteins are Quantum Mechanical Machines • The first step in protein function is a quantum mechanical event, i.e it is the storing of energy in the form of vibrational excited states (VES hypothesis). • The backbone of all proteins is a perfect medium to store and transfer energy in the form of VES. • Prions and other proteins associated with misfolding diseases may be less stable because this exchange is enhanced by the presence of excess numbers of Gln and Asn. • Conformational changes arise when VES energy is converted into transient classical forces, i.e. proteins can convert a quantum event (VES) into a classical event (conformational changes).

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