Oligomeric states of an Influenza-encoded PB1-F2 viroporin
Jamal, S.; Moin, S. T.; Haider, S.
Show abstract
Influenza Viruses have always been a major health concern due to their highly contagious nature. The PB1-F2 viroporin encoded by the influenza A virus is known to be a pro-apoptotic protein involved in cell death induction of the host immune cells. The structural arrangement and the mode of action of PB1-F2 viroporin have not been fully understood. In this study, we report on the most probable oligomeric structural existences of PB1-F2, investigated by Molecular Dynamics Simulations with improved sampling of conformational states. The simulations provide a channel framework to study the mitochondrial membrane permeation pathway which could initiate the leakage of mitochondrial contents like cytochrome C and induce apoptosis. The structural attributes of the oligomeric states were rigorously evaluated by comparing the experimental reports. Our results reveal a tetrameric form as the preferable state in the lipid environment. This further fulfills the ion transportation criteria by providing a less energetic barrier to ions/water molecules crossing the membrane.
Matching journals
The top 9 journals account for 50% of the predicted probability mass.
Similar papers in this journal
- A computational study of the fold and stability of cytochrome c with implications for disease 96%
- Computational insights into mechanism of AIM4-mediated inhibition of aggregation of TDP-43 protein implicated in ALS and evidence for in vitro inhibition of liquid-liquid phase separation (LLPS) of TDP-432C-A315T by AIM4. 95%
- Evaluating the ligands' potency to modulate the fast inactivation of voltage-gated sodium channel. 94%
Similar papers in this journal
- Membrane binding of pore-forming γ-hemolysin components studied at different lipid compositions 96%
- Immune Antibodies Recognizing the Stem Region of SARS-CoV-2 Spike Protein: Molecular Modelling and In Vitro Study of Synthetic Peptides Presentation to the Antibodies 95%
- Myelin Basic Protein dynamics from out-of-equilibrium functional state to degraded state in myelin 93%
Similar papers in this journal
- Structure adaptation in Omicron SARS-CoV-2/hACE2:Biophysical origins of evolutionary driving forces 95%
- Molecular dynamics simulations reveal DNA gate opening mechanisms for M. smegmatis topoisomerase 1A 94%
- Molecular dynamics simulations of HIV-1 matrix-membrane interactions at different stages of viral maturation 94%
Similar papers in this journal
- Exploring the Conformational Transition Between the Fully Folded and Locally Unfolded Substates of the Escherichia coli Thiol Peroxidase 96%
- Mono-phosphorylation at Ser4 of Barrier-to-autointegration Factor (Banf1) significantly reduces its DNA binding capability by inducing critical changes in its local conformation and DNA binding surface 95%
- Computational Investigation of Increased Virulence and Pathogenesis of SARS-CoV-2 Lineage B.1.1.7 94%
Similar papers in this journal
- Allosteric inhibition of adenylyl cyclase type 5 by G-protein: a molecular dynamics study 95%
- Sequential dynamics of Stearoyl-CoA Desaturase-1 (SCD1) /ligand binding and unbinding mechanism: A computational study 95%
- Quantitative Characterization and Prediction of the Binding Determinants and Immune Escape Hotspots for Groups of Broadly Neutralizing Antibodies Against Omicron Variants: Atomistic Modeling of the SARS-CoV-2 Spike Complexes with Antibodies 94%
"Similar papers" are the closest papers from that journal in the model's embedding space. They show what the match is built on, but the ranking comes mostly from a classifier over the whole training set, not from these examples alone.