Diverse modes of binding in structures of Leishmania major N-myristoyltransferase with selective inhibitors

Brannigan, J.A.; Roberts, S.M.; Bell, A.S.; Hutton, J.A.; Hodgkinson, M.R.; Tate, E.W.; Leatherbarrow, R.J.; Smith, D.F.; Wilkinson, A.J.

doi:10.1107/S2052252514013001

Figure 2
The left-hand panels show the binding site for each ligand: (a) the thienopyrimidine 6KV, (b) the piperidinylindole 7AH, (c) the aminoacylpyrrolidine A6K and (d) the biphenyl derivative CWZ. The structures are coloured by atom; carbon, green for protein and grey for ligand; oxygen, red; nitrogen, blue; sulfur, yellow; fluorine, silver; chlorine, mauve. Selected water molecules within 3.5 Å of the ligands are also shown. For clarity, the co-substrate MyrCoA is not shown. Stereoviews (including the co-substrate) of the binding site are presented in Supplementary Fig. S2. The right-hand panel shows the final refined electron-density map associated with bound ligand (2mF_o − DF_c) contoured at a level of 1σ.

IUCrJ

Volume 1| Part 4| June 2014| Pages 250-260

ISSN: 2052-2525

doi:10.1107/S2052252514013001

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