Figure 3
From: Ligand-driven conformational changes of MurD visualized by paramagnetic NMR
PCS analysis for full-length MurD.
(a–d) Overlay of 1H15N-HSQC spectra of 15N MurD E260C/K262C attached with CLaNP-5 containing Lu3+ (diamagnetic) or Yb3+ (paramagnetic), titrated with a series of the ligands. Chemical shift difference between paramagnetic (Yb3+) and diamagnetic (Lu3+) state is PCS that is indicated by a black line. (e) PCSs observed for the backbone amide proton resonances from domain 2 and 3 in the presence or absence of the ligands. Theoretical values for open and closed state are also displayed. While the PCSs observed from domain 2 don’t change in all of the conditions, the PCSs from domain 3 drastically change depending on the combination of the ligand. (f) Model of semi-closed model (purple) calculated based on PCSs. The model is superimposed with crystal structures of MurD in open (1e0d.pdb, cyan)8 and closed (3uag.pdb, green)10 conformations.
