Fig. 5: Dynamics within the RodA-PBP2 complex.
From: Structural basis of peptidoglycan synthesis by E. coli RodA-PBP2 complex
a The two extreme conformations of PBP2 from the cryo-EM 3D variability analysis. b RodA-PBP2 shown as ribbon colored by RMSF over 3 MD simulations of 1 μs aligned to the RodA backbone, with the ribbon increasing in thickness with greater RMSF. c Sterically allowed rotamers of nitroxide spin labels (R1) are illustrated for Gly44R1/Gln99R1 on the cryo-EM structure (left; orange sidechains) and a structure from an MD simulation (right; yellow sidechains). d Resulting DEER distance distributions (solid black line) are compared to predicted distance distributions (bars) based on the sterically allowed rotamers shown in the structures (colored as sidechains).
