Beta-Amyloid Fibril Binding to Phase Separated Lipid Rafts from Solution to Membranes

Movies in animated GIF format showing the binding kinetics of human beta-amyloid fibrils of various sizes, derived from NMR structures (PDB: 2BEG), to phase separated lipid rafts consisting of saturated (DPPC) and unsaturated (DLPC) phospholipids, cholesterol (CHOL), head-group (C1-CHOL) or tail-group (P1-CHOL) modified cholesterol. These modified cholesterols mimic the oxidized cholesterols. The GM1 rafts contain asymmetrically distributed monosialotetrahexosylganglioside (GM1) clusters. These movies show coarse-grained (CG) MD simulations of fibril/raft complexes as described in Cheng et al. "Coarse-Grained MD Simulations Reveal Beta-Amyloid Fibrils of Various Sizes Bind to Interfacial Liquid-Ordered and Liquid-Disordered Regions in Phase Separated Lipid Rafts with Diverse Membrane-Bound Conformational States" Biophysical Chemistry 2020 in press (DOI: 10.1016/j.bpc.2020.106355). Each movie contains 500 frames, with a time step of 40 ns, spanning 0 to 20 microseconds of CG MD simulations. Periodic membrane structures along the z-axis are shown. The lipid acyl chains are not shown for clarity. The membrane-bound states include: C, T, N, I and L, and these states refer to the segment of the fibril that binds to the lipid membrane via the C-terminal, C-and N-termini, N-terminal, transmembrane-insertion along the C- and N-terminals, and loop region, respectively. 1. 01-CO-ABCD-2-0to20us-hgrs.gifA movie of a tetramer fibril (4 chains - ABCD) binding to a lipid raft (DPPC/DLPC/CHOL). The fibril starts from solution, binds to membrane at 4.2 microseconds, and establishes an equilibrated membrane-bound C-state.2. 02-CO-ABCD-3-0to20us-hgrs.gifA movie of tetramer fibril (4 chains - ABCD) binding to a lipid raft (DPPC/DLPC/CHOL). The fibril starts from solution, binds to membrane at 0.4 microseconds, and establishes an equilibrated membrane-bound T-state.3. 03-C1-ABC-3-0to20us-hgrs.gifA movie of a trimer fibril (3 chains - ABC) binding to a lipid raft (DPPC/DLPC/C1-CHOL).The fibril starts from solution, binds to membrane at 0.7 microseconds, and establishes an equilibrated membrane-bound N-state.4. 04-P1-ABC-2-0to20us-hgrs.gifA movie of trimer fibril (3 chain - ABC) binding to a lipid raft (DPPC/DLPC/P1-CHOL). The fibril starts from solution, binds to membrane at 0.3 microseconds, and establishes an equilibrated membrane-bound I-state.5. 05-GM-ABCD-1-0to20us-hgrs.gifA movie of a tetramer (ABCD) fibril binding to an asymmetrical lipid raft (DPPC/DLPC/CHOL/GM1).The fibril starts from solution, binds to membrane at 0.2 microseconds, and establishes an equilibrated membrane-bound C-state.6. 06-GM-ABCD-2-0to2us-hgrs.gifA movie of a tetramer (ABCD) fibril binding to an asymmetrical lipid raft (DPPC/DLPC/CHOL/GM1).The fibril starts from solution, binds to asymmetric GM1 cluster at 1 microsecond, and establishes an equilibrated membrane-bound L-state.

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Identifier
DOI https://doi.org/10.17632/ktrspy2swx.1
PID https://nbn-resolving.org/urn:nbn:nl:ui:13-qm-88kv
Metadata Access https://easy.dans.knaw.nl/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:easy.dans.knaw.nl:easy-dataset:264602
Provenance
Creator Cheng, K
Publisher Data Archiving and Networked Services (DANS)
Contributor Kwan Cheng
Publication Year 2020
Rights info:eu-repo/semantics/openAccess; License: http://creativecommons.org/licenses/by/4.0; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Representation
Resource Type Dataset
Discipline Other