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Dataset for: Computational modeling highlights disordered Formin Homology 1 domain's role in profilin-actin transfer
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posted on 2018-05-25, 04:08 authored by Brandon Gregory Horan, Gül H Zerze, Young C. Kim, Dimitrios Vavylonis, Jeetain MittalFormins accelerate actin polymerization, assumed to occur through flexible FH1 domain mediated transfer of profilin-actin to the barbed end. To study FH1 properties and address sequence effects including varying length/distribution of profilin-binding proline-rich motifs, we performed all-atom simulations of mouse mDia1, mDia2; budding yeast Bni1, Bnr1; fission yeast Cdc12, For3, and Fus1 FH1s. We find FH1 has flexible regions between high propensity polyproline helix regions. A coarse-grained model retaining sequence-specificity, assuming rigid polyproline segments, describes their size. Multiple bound profilins or profilin-actin complexes expand mDia1-FH1, which may be important in cells. Simulations of the barbed end bound to Bni1-FH1-FH2 dimer show the leading FH1 can better transfer profilin or profilin-actin, having decreasing probability with increasing distance from FH2.
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Categories
- Animal physiology - biophysics
- Human biophysics
- Synthetic biology
- Biochemistry and cell biology not elsewhere classified
- Plant biology not elsewhere classified
- Virology
- Receptors and membrane biology
- Bioinformatics and computational biology not elsewhere classified
- Immunology not elsewhere classified
- Neurosciences not elsewhere classified
- Cell development, proliferation and death
- Plant cell and molecular biology
- Animal cell and molecular biology
- Evolutionary biology not elsewhere classified
- Signal transduction
- Cancer cell biology
- Systems biology
- Structural biology (incl. macromolecular modelling)
Keywords
Actin polymerizationForminsProfilinBiophysicsSynthetic BiologyBiochemistryPlant BiologyVirologyReceptors and Membrane BiologyComputational BiologyImmunologyNeuroscienceCell Development, Proliferation and DeathMolecular BiologyEvolutionary BiologySignal TransductionCancer Cell BiologySystems BiologyStructural Biology
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