Figure 1.
Opposite effects of glycerol on the association constant KA of Fab D44.1 and scFv D1.3 with lysozyme.
KA/KA,0 is the ratio of the association constants with and without glycerol. The data point marked with an asterisk is derived from Goldbaum et al. [21] and all other data points are determined by surface plasmon resonance.
Figure 2.
Local concentration maps of lysozyme and D1.3 in the associated and free states.
Solvent regions that are preferentially solvated by glycerol and water are colored in red and blue respectively, and solvent regions near the interface region are highlighted.
Table 1.
Preferential interaction coefficients of free and associated proteins in 6 molal glycerol.
Figure 3.
Definition of the interface region inte(D) of a protein-protein complex.
The interface region inte(D) of protein A is defined as the continuous protein surface region comprising all residues with at least one atom within a distance D from protein B. All other residues of protein A belong to the complementary region, non-inte(D).
Figure 4.
Local changes in preferential interactions upon protein-protein association of D1.3 and D44.1 with lysozyme.
Residues for which the local preferential interaction coefficient is greater (smaller) for the associated than for the free proteins are colored red (blue). For clarity, only the VH and VL regions of the antibody fragments are displayed.
Figure 5.
Solvation of the interface regions of D1.3, D44.1 and lysozyme in the associated and free states.
Solvent regions that are preferentially solvated by glycerol (water) are colored in red (blue). The yellow circle indicates the protein surface locus near the N-terminus of lysozyme.
Figure 6.
Snapshot of solvent molecules near Asp54 of D1.3 VH in the free state (A) and associated to lysozyme (B).
Water and glycerol molecules within 5 Å from Asp54 are represented in green and purple, respectively. C- and O-atoms of the side-chain of Asp54 are highlighted in cyan and red, respectively.
Figure 7.
Snapshot of glycerol molecules near the N-terminus of lysozyme in the free state (A) and associated to D44.1 (B).
Hydrogen-bonds are indicated by dotted lines and red wireframes demark solvent regions with high local glycerol concentrations (>
).