Structural mechanism of the ATP-induced dissociation of rigor myosin from actin

Proceedings of the National Academy of Sciences of the United States of America

Volumn 108, Issue 19, 2011, Pages 7793-7798

  Kühner, Sebastian ^a   Fischer, Stefan ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

Chemomechanical coupling; Conformational transition; Conjugate peak refinement; Muscle contraction; Power stroke

Indexed keywords

ACTIN; ADENOSINE TRIPHOSPHATE; MYOSIN;

ACTIN FILAMENT; ARTICLE; BINDING AFFINITY; CONFORMATIONAL TRANSITION; CROSS COUPLING REACTION; CRYSTAL STRUCTURE; DISSOCIATION; DISSOCIATION CONSTANT; MUSCLE CONTRACTION; PHASE TRANSITION; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN FUNCTION; PROTEIN HYDROLYSIS; PROTEIN STRUCTURE; RIGOR;

ACTINS; ADENOSINE TRIPHOSPHATE; ANIMALS; AVIAN PROTEINS; BINDING SITES; CHICKENS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR MOTOR PROTEINS; MYOSINS; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY;

EID: 79956372614     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1018420108     Document Type: Article

References (38)

1. Kolomeisky AB, Fisher ME (2007) Molecular motors: A theorist's perspective. Annu Rev Phys Chem 58:675-695. (Pubitemid 46877604)
2. van den Heuvel MG, Dekker C (2007) Motor proteins at work for nanotechnology. Science 317:333-336.
3. Itakura S, et al. (1993) Force-generating domain of myosin motor. Biochem Biophys Res Commun 196:1504-1510. (Pubitemid 23347619)
4. Finlayson B, Lymn RW, Taylor EW (1969) Studies on the kinetics of formation and dissociation of the actomyosin complex. Biochemistry 8:811-819.
5. Conibear PB, Bagshaw CR, Fajer PG, Kovacs M, Malnasi-Csizmadia A (2003) Myosin cleft movement and its coupling to actomyosin dissociation. Nat Struct Biol 10:831-835. (Pubitemid 37187655)
6. Reubold TF, Eschenburg S, Becker A, Kull FJ, Manstein DJ (2003) A structural model for actin-induced nucleotide release in myosin. Nat Struct Biol 10:826-830. (Pubitemid 37187654)
7. Coureux PD, Sweeney HL, Houdusse A (2004) Three myosin V structures delineate essential features of chemo-mechanical transduction. EMBO J 23:4527-4537. (Pubitemid 39657853)
8. Lorenz M, Holmes KC (2010) The actin-myosin interface. Proc Natl Acad Sci USA 107:12529-12534.
9. Coureux PD, et al. (2003) A structural state of the myosin V motor without bound nucleotide. Nature 425:419-423.
10. Holmes KC, Angert I, Kull FJ, Jahn W, Schroder RR (2003) Electron cryo-microscopy shows how strong binding of myosin to actin releases nucleotide. Nature 425:423-427. (Pubitemid 37187274)
11. Kurzawa SE, Geeves MA (1996) A novel stopped-flow method for measuring the affinity of actin for myosin head fragments using microgram quantities of protein. J Muscle Res Cell Motil 17:669-676. (Pubitemid 27008036)
12. Geeves MA, Holmes KC (2005) The molecular mechanism of muscle contraction. Adv Protein Chem 71:161-193. (Pubitemid 41446929)
13. Millar NC, Geeves MA (1983) The limiting rate of the ATP-mediated dissociation of actin from rabbit skeletal muscle myosin subfragment 1. FEBS Lett 160:141-148. (Pubitemid 13048734)
14. Trentham DR, Eccleston JF, Bagshaw CR (1976) Kinetic analysis of ATPase mechanisms. Q Rev Biophys 9:217-281.
15. Volkmann N, et al. (2000) Evidence for cleft closure in actomyosin upon ADP release. Nat Struct Biol 7:1147-1155.
16. Malnasi-Csizmadia A, et al. (2007) Selective perturbation of the myosin recovery stroke by point mutations at the base of the lever arm affects ATP hydrolysis and phosphate release. J Biol Chem 282:17658-17664. (Pubitemid 47100288)
17. Koppole S, Smith JC, Fischer S (2006) Simulations of the myosin II motor reveal a nucleotide-state sensing element that controls the recovery stroke. J Mol Biol 361:604-616. (Pubitemid 44137359)
18. Fischer S, Windshugel B, Horak D, Holmes KC, Smith JC (2005) Structural mechanism of the recovery stroke in the myosin molecular motor. Proc Natl Acad Sci USA 102:6873-6878. (Pubitemid 40675409)
19. Koppole S, Smith JC, Fischer S (2007) The structural coupling between ATPase activation and recovery stroke in the myosin II motor. Structure 15:825-837. (Pubitemid 47042437)
20. Schwarzl SM, Smith JC, Fischer S (2006) Insights into the chemomechanical coupling of the myosin motor from simulation of its ATP hydrolysis mechanism. Biochemistry 45:5830-5847.
21. Yang Y, et al. (2007) Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor. Structure 15:553-564. (Pubitemid 46711248)
22. Kintses B, et al. (2007) Reversible movement of switch 1 loop of myosin determines actin interaction. EMBO J 26:265-274. (Pubitemid 46094717)
23. Miller BM, Bloemink MJ, Nyitrai M, Bernstein SI, Geeves MA (2007) A variable domain near the ATP-binding site in Drosophila muscle myosin is part of the communication pathway between the nucleotide and actin-binding sites. J Mol Biol 368:1051-1066. (Pubitemid 46574655)
24. Mesentean S, Koppole S, Smith JC, Fischer S (2007) The principal motions involved in the coupling mechanism of the recovery stroke of the myosin motor. J Mol Biol 367:591-602.
25. Ovchinnikov V, Trout BL, Karplus M (2010) Mechanical coupling in myosin V: A simulation study. J Mol Biol 395:815-833.
26. Cecchini M, Houdusse A, Karplus M (2008) Allosteric communication in myosin V: From small conformational changes to large directed movements. PLoS Comput Biol 4:e1000129.
27. Tehver R, Thirumalai D (2010) Rigor to post-rigor transition in myosin V: Link between the dynamics and the supporting architecture. Structure 18:471-481.
28. Malnasi-Csizmadia A, Kovacs M (2010) Emerging complex pathways of the actomyosin powerstroke. Trends Biochem Sci 35:684-690.
29. Brooks BR, et al. (1983) CHARMM: A program for macromolecular energy, minimization and dynamics calculations. J Comput Chem 4:87-217.
30. Neria E, Fischer S, Karplus M (1996) Simulation of activation free energies in molecular systems. J Chem Phys 105:1902-1921.
31. Schaefer M, Karplus M (1996) A comprehensive analytical treatment of continuum electrostatics. J Phys Chem B 100:1578-1599.
32. Schaefer M, Bartels C, Karplus M (1998) Solution conformations and thermodynamics of structured peptides: Molecular dynamics simulation with an implicit solvation model. J Mol Biol 284:835-847.
33. Noe F, Fischer S (2008) Transition networks for modeling the kinetics of conformational change in macromolecules. Curr Opin Struct Biol 18:154-162.
34. Fischer S, Karplus M (1992) Conjugate peak refinement: An algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom. Chem Phys Lett 194:252-261.
35. Noe F, Ille F, Smith JC, Fischer S (2005) Automated computation of low-energy pathways for complex rearrangements in proteins: Application to the conformational switch of Ras p21. Proteins 59:534-544. (Pubitemid 40594297)
36. Holmes KC, Geeves MA (2000) The structural basis of muscle contraction. Philos Trans R Soc Lond B Biol Sci 355:419-431. (Pubitemid 30324717)
37. Geeves MA, Holmes KC (1999) Structural mechanism of muscle contraction. Annu Rev Biochem 68:687-728. (Pubitemid 29449207)
38. Hayward S, Berendsen HJ (1998) Systematic analysis of domain motions in proteins from conformational change: New results on citrate synthase and T4 lysozyme. Proteins 30:144-154. (Pubitemid 28080149)