Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session G11: Multi-Scale Modelling of Biological Cells: from Atoms to Whole Cells
11:30 AM–2:30 PM,
Tuesday, March 7, 2023
Room: Room 203
Sponsoring
Unit:
DBIO
Chair: Margaret Cheung, Pacific Northwest National Laboratory
Abstract: G11.00011 : Energetic and kinetic criteria for assembling HIV-1 Gag lattices in solution
2:18 PM–2:30 PM
Presenter:
Yian Qian
(Johns Hopkins University)
Authors:
Yian Qian
(Johns Hopkins University)
Margaret E Johnson
(Johns Hopkins University)
Daniel Evans
(Johns Hopkins University)
retroviral Gag polyprotein into a spherical lattice. However, quantifying the kinetic and energetic
requirements to promote lattice formation is challenging due to the higher-order contacts needed
for assembly. Here, we use a reaction-diffusion model designed from the cryo-EM structure of
the immature Gag lattice to map out a phase diagram of assembly outcomes. We find a narrow
regime of parameters that can support efficient assembly without the time-dependent release of
monomers due to the large size of this ~3700 monomer complex. Nucleation of multiple Gag
lattices is difficult to suppress before any individual structure completes, even over ~100
seconds, resulting in loss of free monomers and frequent kinetic trapping. We derive rates to
titrate or activate Gag proteins into their solution volume and show how we can recover a high
yield of completed structures, thus avoiding kinetic traps. This strategy can mimic mechanisms
used by cells, where co-factors and membrane binding can provide similar time-dependent
mechanisms of cooperative control. Our work provides a foundation for predicting how these
essential factors regulate Gag lattice formation.
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