Figure 2.

Comparison of the SFX structure (PDB: 7CWB) with the ambient-temperature structure (PDB: 6WQF)

(A) The two structures align very well with an overall RMSD of 0.404 Å. The SFX structure is shown in gray, the ambient-temperature structure is shown in pink. The same coloring scheme is used in all panels. All the structural alignments are performed based on the superposition of Cα atoms throughout the manuscript.

(B) Superposition of the active site pocket reveals the significant conformational states. Residues with altered conformations were labeled and their positions are indicated.

(C) 2F_o − F_c electron density belonging to the active site residues is contoured at the 1σ level and colored in slate. H bonds and other interactions are indicated by dashed lines and distances are given in Å.

(D) Superposition of the PDB: 7CWB (SFX) and 6WQF active site reveals very similar states.