Molecular dynamics calculations of the electrostatic properties of tubulin and their consequences for microtubules

Tuszyński, Jack A.; Carpenter, Eric J.; Crawford, Ellen; Brown, Janice A.; Malinski, W.; Dixon, J.M.

doi:10.1109/icmens.2003.1221965

Cited by 8 publications

(12 citation statements)

References 9 publications

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“…This effect is analogous to similar one observed for the experimentally verified cylindrical hair cell properties [6]. This also has been corroborated by a detailed map of the electric charge distribution for the tubulin dimer [7]. Taking into account the above arguments, it is highly plausible to envisage the MT structure as a ferroelectric system with dipole moments of tubulins oriented as shown in (Fig.…”

Section: Ferroelectric Properties Of Mts and Kink Excitations Due To supporting

confidence: 75%

Nonlinear Model of Microtubule Dynamics

Satarić¹,

Satarić²,

Tuszyński³

2005

Electromagnetic Biology and Medicine

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This article elaborates on the nonlinear model based on ferroelectric properties of microtubules and triggered by hydrolysis of GTP followed by conversion of chemical energy into large conformational movement named dynamical transition.We attempted to elucidate several functional properties of microtubules on the basis of this elegant model. The possible role of endogenous electric fields as control mechanism of kink dynamics is emphasized.

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Section: Ferroelectric Properties Of Mts and Kink Excitations Due To supporting

confidence: 75%

Nonlinear Model of Microtubule Dynamics

Satarić¹,

Satarić²,

Tuszyński³

2005

Electromagnetic Biology and Medicine

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“…At pH 7, tubulin has a large overall charge of −20, and up to 40 % of this charge resides on C-termini [44]. The C-termini can point nearly perpendicularly outward from the microtubule axis as a strong function of pH i , extending 4–5 nm at pH i 7 [44], and can exist in at least 2 other conformational states where they bind to the microtubule surface at lower pH i [45]. …”

Section: Some Cellular Electrostaticsmentioning

confidence: 99%

Electrostatic forces drive poleward chromosome motions at kinetochores

Gagliardi

Shain

2016

Cell Div

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BackgroundRecent experiments regarding Ndc80/Hec1 in force generation at kinetochores for chromosome motions have prompted speculation about possible models for interactions between positively charged molecules at kinetochores and negative charge at and near the plus ends of microtubules.DiscussionA clear picture of how kinetochores and centrosomes establish and maintain a dynamic coupling to microtubules for force generation during the complex motions of mitosis remains elusive. The current paradigm of molecular cell biology requires that specific molecules, or molecular geometries, for force generation be identified. However, it is possible to explain several different mitotic motions—including poleward force production at kinetochores—within a classical electrostatics approach in terms of experimentally known charge distributions, modeled as surface and volume bound charges interacting over nanometer distances.ConclusionWe propose here that implicating Ndc80/Hec1 as a bound volume positive charge distribution in electrostatic generation of poleward force at kinetochores is most consistent with a wide range of experimental observations on mitotic motions, including polar production of poleward force and chromosome congression.

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“…Molecular modeling shows that, in the presence of water, tubulins have additionally a permanent dipole moment that points towards the cylindrical symmetry axis of the microtubule with a non-zero component parallel to the protofilaments towards their minus end [1]. Electrostatically, thus, a microtubule has negative surface charge accompanied by a positive charge distribution in its immediate interior with a slanted polarization vector that is larger in the beta than the alpha subunit ( Figure 1).…”

Section: Kinesin Electrostatic Modelmentioning

confidence: 99%

“…For the electrostatic distribution of microtubules we assign negative surface charge q = −27e per tubulin subunit while include a positive charge distribution in the interior leading to dipole moment magnitude of p = 5, 000D 100 Cnm [1], or d 4 nm (p = qd). Finally, we use a dipolar tilt with length and angle values equal to d α 2 nm, ω α 0.07 rad and d β 4 nm, ω β 0.14 rad, for the α and β subunits respectively (Figure 1b).…”

Section: Kinesin Electrostatic Modelmentioning

confidence: 99%

Kinesin as an Electrostatic Machine

2006

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Kinesin and related motor proteins utilize ATP fuel to propel themselves along the external surface of microtubules in a processive and directional fashion. We show that the observed step-like motion is possible through time-varying charge distributions furnished by the ATP hydrolysis cycle while the static charge configuration on the microtubule provides the guide for motion. Thus, while the chemical hydrolysis energy induces appropriate local conformational changes, the motor translational energy is fundamentally electrostatic. Numerical simulations of the mechanical equations of motion show that processivity and directionality are direct consequences of the ATP-dependent electrostatic interaction between the different charge distributions of kinesin and the microtubule.Key words kinesin electrostatics · tubulin dipole moment · neck domain · ATP hydrolysis · microtubule directionality · kinesin processivity · kinesin substep

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Molecular dynamics calculations of the electrostatic properties of tubulin and their consequences for microtubules

Cited by 8 publications

References 9 publications

Nonlinear Model of Microtubule Dynamics

Nonlinear Model of Microtubule Dynamics

Electrostatic forces drive poleward chromosome motions at kinetochores

Kinesin as an Electrostatic Machine

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