PDB | 4mlb Reverse polarity of binding pocket suggests different function of a MOP superfamily transporter
Reverse polarity of binding pocket suggests different function of a MOP superfamily transporter from Pyrococcus furiosus Vc1 (DSM3638)
Original publication
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copyrightData provided by Research Collaboration for Structural Biology, Michel, H., Malviya, V.N., Hausner, W., Nonaka, T., Mehdipour, A.R., Safarian, S., Koepke, J., Zakrzewska, S., Muenke, C., Hummer, G. , provided free of copyright via the Protein DataBank. View original data or read license terms.
Simulation 4mlb_default_dppc
Images
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Distortions
Distortions show the average surface formed by lipid phosphate beads over the final 800 ns of simulation time. Red indicates a thinning of the bilayer (compared to bulk thickness), whilst blue indicates thickening.
Lipids
Coarse-grained lipids are shown with glycerol beads in yellow, phosphate beads in red and choline beads in blue. Atomistic lipids are coloured according to the CPK standard.
Contacts
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Data Download
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Snapshots
4mlb_default_dppc-ready.pdb
Starting structure used for simulations.
4mlb_default_dppc-atomistic.pdb
Atomistic snapshot created with CG2AT.
4mlb_default_dppc-coarsegrained.pdb
Coarse-grained snapshot (MARTINI representation).
4mlb_default_dppc-distortions.pdb
Distortions (membrane surface representation) in PDB format.
Structures with contacts
4mlb_default_dppc-head-contacts.pdb
Atomistic structure with headgroup contacts as temperature factors.
4mlb_default_dppc-tail-contacts.pdb
Atomistic structure with acyl tail contacts as temperature factors.
4mlb_default_dppc-solvent-contacts.pdb
Atomistic structure with solvent contacts as temperature factors.
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4mlb_default_dppc.mpmd.finalframe.atomistic.pdb
3.2 MB, PDB Format
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Polypeptide chains
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