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. 2023 Nov 23;13:20558. doi: 10.1038/s41598-023-47253-y

Table 4.

Dissection of entropic contribution to the VcCBP/(GlcNAc)n (n = 2, 3, and 4) interactions.

Protein Ligand ΔCp° (cal K−1 mol−1) ΔSr° (cal K−1 mol−1) ΔSmix° (cal K−1 mol−1) ΔSsolv° (cal K−1 mol−1) ΔSconf° (cal K−1 mol−1)
VcCBP (GlcNAc)2 − 291 ± 1 22.0 ± 0.4 − 8 81.6 ± 0.2 − 51.6 ± 0.6
VcCBP (GlcNAc)3 − 406 ± 6 32.6 ± 0.1 − 8 110.9 ± 1.8 − 70.3 ± 1.9
VcCBP (GlcNAc)4 − 307 ± 10 47.2 ± 0.6 − 8 84.0 ± 2.8 − 28.9 ± 3.3
VcCBP_R27A (GlcNAc)3 − 343 ± 1 25.6 ± 0.0 − 8 93.5 ± 0.2 − 59.9 ± 0.2

The individual ligands (1.0 mM) were titrated into the VcCBP or VcCBP_R27A solution (50 µM) in 20 mM Tris–HCl buffer, pH 8.0, in the sample cell (0.2028 mL) at various temperatures. Individual entropic contributions were obtained from Supplementary Fig. S3, and Eqs. (2) and (3).