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. 2012 Feb 29;287(16):12657–12667. doi: 10.1074/jbc.M112.342725

FIGURE 2.

FIGURE 2.

MurA exists in a tight complex with UNAM and PEP covalently attached to Cys-115. A, surface representations of different states of MurA (ligand-free (VII), UNAG (VIII), and UNAM+PEP (I)) show the closure of the active site upon covalent reaction of Cys-115 with PEP. The 2Fo − Fc electron density at 2.2 Å resolution and contoured at 1σ is shown as blue mesh for UNAM and adduct of the dormant complex. The Fo − Fc omit map is shown in supplemental Fig. S2. The C-terminal domain of MurA is colored in beige, the N-terminal domain is in green, the loop 112–121 is in magenta, and Cys-115 or the Cys-115-PEP adduct is in cyan. B, shown is a stereo presentation of the PEP binding site in the dormant complex with UNAM. Black dotted lines indicate hydrogen bonding or electrostatic interactions, and the green spheres are water molecules.