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Title: Rotational Mechanism Model of the Bacterial V1 Motor Based on Structural and Computational Analyses

Journal Article · · Frontiers in Physiology
 [1];  [2];  [3];  [4];  [5];  [6];  [7]
  1. Arizona State Univ., Tempe, AZ (United States)
  2. Université de Lorraine, Nancy (France); Univ. of Illinois at Urbana-Champaign, IL (United States)
  3. Yokohama City University (Japan)
  4. Chiba University (Japan)
  5. Yokohama City University (Japan); RIKEN Medical Sciences Innovation Hub Program, Yokohama (Japan)
  6. Chiba University (Japan); Tokyo University of Science (Japan)
  7. Chiba University (Japan); Japan Science and Technology Agency (JST), Chiba (Japan)
+ Show Author Affiliations

V1-ATPase exemplifies the ubiquitous rotary motor, in which a central shaft DF complex rotates inside a hexagonally arranged catalytic A3B3 complex, powered by the energy from ATP hydrolysis. We have recently reported a number of crystal structures of the Enterococcus hirae A3B3DF (V1) complex corresponding to its nucleotide-bound intermediate states, namely the forms waiting for ATP hydrolysis (denoted as catalytic dwell), ATP binding (ATP-binding dwell), and ADP release (ADP-release dwell) along the rotatory catalytic cycle of ATPase. Furthermore, we have performed microsecond-scale molecular dynamics simulations and free-energy calculations to investigate the conformational transitions between these intermediate states and to probe the long-time dynamics of the molecular motor. Finally in this article, the molecular structure and dynamics of the V1-ATPase are reviewed to bring forth a unified model of the motor’s remarkable rotational mechanism.

Research Organization:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Organization:
USDOE Office of Science (SC); National Institutes of Health (NIH); Ministry of Education, Culture, Sports, Science and Technology (MEXT); Japan Agency for Medical Research and Development (AMED)
Grant/Contract Number:
AC05-00OR22725; 17H03638; 18H05425; 18H05426
OSTI ID:
1565788
Journal Information:
Frontiers in Physiology, Vol. 10; ISSN 1664-042X
Publisher:
Frontiers Media S.A.Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 5 works
Citation information provided by
Web of Science

References (42)

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Inchworm movement of two rings switching onto a thread by biased Brownian diffusion represent a three-body problem journal May 2018
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Protein Structural Change Upon Ligand Binding: Linear Response Theory journal February 2005
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Rotation scheme of V1-motor is different from that of F1-motor journal December 2005
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Structure and conformational plasticity of the intact Thermus thermophilus V/A-type ATPase journal August 2019

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Related Subjects

59 BASIC BIOLOGICAL SCIENCES
physiology
rotary motor
V-ATPase
X-ray structure
molecular dynamics
free energy