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310-Helix Conformat...
310-Helix Conformation Facilitates the Transition of a Voltage Sensor S4 Segment toward the Down State
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- Schwaiger, Christine S., 1984- (författare)
- KTH,Beräkningsbiofysik,Theoretical and Computational Biophysics, Department of Theoretical Physics, Royal Institute of Technology,Erik Lindahl
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- Bjelkmar, Pär (författare)
- KTH,Beräkningsbiofysik,Theoretical and Computational Biophysics, Department of Theoretical Physics, Royal Institute of Technology,Erik Lindahl
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- Hess, Berk (författare)
- KTH,Beräkningsbiofysik,Theoretical and Computational Biophysics, Department of Theoretical Physics, Royal Institute of Technology
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visa fler...
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- Lindahl, Erik (författare)
- KTH,Beräkningsbiofysik,Theoretical and Computational Biophysics, Department of Theoretical Physics, Royal Institute of Technology
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(creator_code:org_t)
- Elsevier BV, 2011
- 2011
- Engelska.
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Ingår i: Biophysical Journal. - : Elsevier BV. - 0006-3495 .- 1542-0086. ; 100:6, s. 1446-1454
- Relaterad länk:
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http://www.cell.com/...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- The activation of voltage-gated ion channels is controlled by the S4 helix, with arginines every third residue. The x-ray structures are believed to reflect an open-inactivated state, and models propose combinations of translation, rotation, and tilt to reach the resting state. Recently, experiments and simulations have independently observed occurrence of 3(10)-helix in S4. This suggests S4 might make a transition from alpha- to 3(10)-helix in the gating process. Here, we show 3(10)-helix structure between 01 and R3 in the S4 segment of a voltage sensor appears to facilitate the early stage of the motion toward a down state. We use multiple microsecond-steered molecular simulations to calculate the work required for translating S4 both as a-helix and transformed to 3(10)-helix. The barrier appears to be caused by salt-bridge reformation simultaneous to R4 passing the F233 hydrophobic lock, and it is almost a factor-two lower with 3(10)-helix. The latter facilitates translation because R2/R3 line up to face E183/E226, which reduces the requirement to rotate S4. This is also reflected in a lower root mean-square deviation distortion of the rest of the voltage sensor. This supports the 3(10) hypothesis, and could explain some of the differences between the open-inactivated- versus activated-states.
Ämnesord
- NATURVETENSKAP -- Biologi -- Biofysik (hsv//swe)
- NATURAL SCIENCES -- Biological Sciences -- Biophysics (hsv//eng)
- NATURVETENSKAP -- Biologi -- Bioinformatik och systembiologi (hsv//swe)
- NATURAL SCIENCES -- Biological Sciences -- Bioinformatics and Systems Biology (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Nyckelord
- Biological physics
- Biologisk fysik
- SRA - E-vetenskap (SeRC)
- SRA - E-Science (SeRC)
- Chemistry
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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