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      PDB | 6ajg Mycolic acid transporter MmpL3

      Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109

      label Keywords
      membrane protein, transporter, rnd family, cell wall biosynthesis, drug target, hydrolase
      event_note Published
      08/27/2018
      blur_on Resolution
      2.604 Å
      filter_center_focus Method
      X-RAY DIFFRACTION
      add_circle Ligands
      N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, DODECYL-BETA-D-MALTOSIDE, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID

      Original publication

      import_contacts Title
      Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
      import_contacts Journal
      Cell 2019
      import_contacts DOI
      10.1016/j.cell.2019.01.003
      person Authors
      Rao, Z., Zhang, L., Cheng, X., Jiang, H., Yang, H., Guddat, L.W., Zhang, B., Jiang, B., Li, J., Zhao, Y., Zhang, J., Wu, L., Liu, Z., Yang, X., Yang, Y.

      Read article from Cell

      Member of

      copyrightData provided by Research Collaboration for Structural Biology, Rao, Z., Zhang, L., Cheng, X., Jiang, H., Yang, H., Guddat, L.W., Zhang, B., Jiang, B., Li, J., Zhao, Y., Zhang, J., Wu, L., Liu, Z., Yang, X., Yang, Y. , provided free of copyright via the Protein DataBank. View original data or read license terms.

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      Simulation 6ajg_default_dppc

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      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

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      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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      Snapshots

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      6ajg_default_dppc-ready.pdb

      Starting structure used for simulations.

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      6ajg_default_dppc-atomistic.pdb

      Atomistic snapshot created with CG2AT.

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      Coarse-grained snapshot (MARTINI representation).

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      6ajg_default_dppc-distortions.pdb

      Distortions (membrane surface representation) in PDB format.

      Structures with contacts

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      6ajg_default_dppc-head-contacts.pdb

      Atomistic structure with headgroup contacts as temperature factors.

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      6ajg_default_dppc-tail-contacts.pdb

      Atomistic structure with acyl tail contacts as temperature factors.

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      6ajg_default_dppc-solvent-contacts.pdb

      Atomistic structure with solvent contacts as temperature factors.

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      6ajg_default_dppc-by-resid.csv

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