Unique elastic properties of the spectrin tetramer as revealed by multiscale coarse-grained modeling

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

Volumn 105, Issue 4, 2008, Pages 1204-1208

  Mirijanian, Dina T ^a   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

Cytoskeleton; Elasticity; Erythrocyte

Indexed keywords

POLYMER; PROTEIN SUBUNIT; SPECTRIN; TETRAMER;

COMPUTER SIMULATION; CONFERENCE PAPER; CYTOSKELETON; ELASTICITY; ERYTHROCYTE; MODEL; PRIORITY JOURNAL; AMINO ACID SEQUENCE; ARTICLE; ATOMIC FORCE MICROSCOPY; CHEMICAL STRUCTURE; CHEMISTRY; ERYTHROCYTE DEFORMABILITY; HUMAN; PHYSIOLOGY; PROTEIN FOLDING; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

COMPUTER SIMULATION; ELASTICITY; ERYTHROCYTE DEFORMABILITY; ERYTHROCYTES; HUMANS; MICROSCOPY, ATOMIC FORCE; MODELS, MOLECULAR; POLYMERS; PROTEIN FOLDING; REPETITIVE SEQUENCES, AMINO ACID; SPECTRIN; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 39549086777     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.0707500105     Document Type: Article

References (29)

1. Steck TL, Yu J (1973) Selective solubilization of proteins from red blood cell membranes by protein perturbants. J Supramol Struct 1:220-232.
2. Cahnam PB (1970) The minimum energy of bending as a possible explanation of biconcave shape of the human red blood cell. J Theor Biol 26:61-81.
3. Deuling HJ, Helfrich W (1976) Red blood cell shapes as explained on the basis of curvature elasticity. Biophys J 16:861-868.
4. Shotton DM, Burke BE, Branton D (1979) The molecular structure of the human erythrocyte spectrin. Biophysical and electron microscopic studies. J Mol Biol 131:303-329.
5. Steck TL (1989) in Red Cell Shape: Determinants, Regulation, and Regulatory Role, eds Stein WD, Bronner F (Academic, San Diego), pp 205-246.
6. Swihart AH, Mikrut JM, Ketterson JB, MacDonald RC (2001) Atomic force microscopy of the erythrocyte membrane skeleton. J Microsc 204:212-225.
7. Takeuchi M, Miyamoto Y, Sako H, Komizu H, Kusuki A (1998) Structure of the erythrocyte membrane skeleton as observed by atomic force microscopy. Biophys J 74:2171-2183.
8. Lenormand G, Hénon S, Richert A, Siméon J, Gallet F (2003) Elasticity of the human red blood cell skeleton. Biorheology 40:247-251.
9. Rief M, Pascual J, Saraste M, Gaub HE (1999) Single molecule force spectroscopy of spectrin repeats: low unfolding forces in helix bundles. J Mol Biol 286:553-561.
10. Law R, et al. (2003) Cooperativity in forced unfolding of tandem spectrin repeats. Biophys J 84:533-544.
11. Law R, et al. (2003) Pathway shifts and thermal softening in temperature-coupled forced unfolding of spectrin domains. Biophys J 85:3286-3293.
12. Sotomayor M, Schulten K (2007) Single-molecule experiments in vitro and in silico. Science 316:1144-1148.
13. Paramore S, Ayton GS, Voth GA (2006) Extending a spectrin repeat unit. II: rupture behavior. Biophys J 90:101-111.
14. Paramore S, Voth GA (2006) Examining the influence of linkers and tertiary structure in the forced unfolding of multiple-repeat spectrin molecules. Biophys J 91:3436-3445.
15. Ortiz V, Nielsen SO, Klein ML, Discher DE (2005) Unfolding a linker between helical repeats. J Mol Biol 349:638-647.
16. Waugh R, Evans EA (1979) Thermoelasticity of red blood cell membrane. Biophys J 26:115-131.
17. Lee JC-M, Discher DE (2001) Deformation-enhanced fluctuations in the red cell skeleton with theoretical relations to elasticity, connectivity, and spectrin unfolding. Biophys J 81:3178-3192.
18. Mirijanian DT, Chu J-W, Ayton GS, Voth GA (2007) Atomistic and coarse-grained analysis of double spectrin repeat units: The molecular origins of flexibility. J Mol Biol 365:523-534.
19. Keller D, Swingon D, Bustamante C (2003) Relating single-molecule measurements to thermodynamics. Biophys J 84:733-738.
20. Giorgi M, Cianci CD, Gallagher PG, Morrow JS (2001) Spectrin oligomerization is cooperatively coupled to membrane assembly: a linkage targeted by many hereditary hemolytic anemias? Exp Mol Pathol 70:215-230.
21. Johnson CP, et al. (2007) Pathogenic proline mutation in the linker between spectrin repeats: disease caused by spectrin unfolding. Blood 109:3538-3543.
22. Chaudhuri D (2007) Semiflexible polymers: Dependence on ensemble and boundary orientations. Phys Rev E 75:021803.
23. MacKerell AD, et al. (1998) All-atom emipical potential for molecular modeling and dynamics studies of proteins. J Phys Chem B 102:3586-3616.
24. Weeks JD, Chandler D, Anderson HC (1971) Role of repulsive forces in determining the equilibrium structure of simple liquids. J Chem Phys 54:5237-5247.
25. Chu J-W, Voth GA (2005) Allostery of actin filaments: Molecular dynamics simulations and coarse-grained analysis. Proc Natl Acad Sci USA 102:13111-13116.
26. Chu J-W, Voth GA (2006) Coarse-grained modeling of the actin filament derived from atomistic-scale simulations. Biophys J 90:1572-1582.
27. Brooks BR, Janezic D, Karpulus M (1995) Harmonic analysis of large systems. I. Methodology. J Comput Chem 16:1522-1542.
28. Brooks BR, et al. (1983) CHARMM: A program for macromolecular energy, minimization, and dynamics calculations. J Comput Chem 4:187-217.
29. Nosé S (1984) A molecular dynamics method for simulations in the canonical ensemble Mol Phys 52:255-268.