Nature Communications · 2021 · 71 citations · 69 references
Membrane StructureProteinlipid Interactionβ-Barrel Assembly MachineryEngineeringProtein AssemblyMechanical EngineeringMolecular BiologyAnalytical UltracentrifugationMechanicsProtein FoldingMacromolecular AssembliesBiophysicsMaterials ScienceHybrid-barrel MechanismAccessory ProteinsMembrane BiologyMembrane SystemPlasticityNanodiscStructural BiologyMicrostructureNatural SciencesBarrel DomainMechanics Of Materials
In Gram-negative bacteria, the biogenesis of β-barrel outer membrane proteins is mediated by the β-barrel assembly machinery (BAM). The mechanism employed by BAM is complex and so far- incompletely understood. Here, we report the structures of BAM in nanodiscs, prepared using polar lipids and native membranes, where we observe an outward-open state. Mutations in the barrel domain of BamA reveal that plasticity in BAM is essential, particularly along the lateral seam of the barrel domain, which is further supported by molecular dynamics simulations that show conformational dynamics in BAM are modulated by the accessory proteins. We also report the structure of BAM in complex with EspP, which reveals an early folding intermediate where EspP threads from the underside of BAM and incorporates into the barrel domain of BamA, supporting a hybrid-barrel budding mechanism in which the substrate is folded into the membrane sequentially rather than as a single unit.
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VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 64.1K citations
Engineering, Visual Molecular Dynamics, Molecular Biology +5
Features and development of <i>Coot</i>
Paul Emsley, Bernhard Lohkamp, W. G. Scott et al. · Acta Crystallographica Section D Biological Crystallography · 2010 · 28.8K citations · Full text
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Paul D. Adams, Pavel V. Afonine, G. Bunkóczi et al. · Acta Crystallographica Section D Biological Crystallography · 2010 · 24.1K citations · Full text
X-ray Crystallography, Structural Bioinformatics, Biomolecular Structure Prediction +14