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Table 5 Structure-based calculation of the thermodynamic parameters of binding between p41 and R21A Spc-SH3 and Abl-SH3 domain.

From: The high-resolution NMR structure of the R21A Spc-SH3:P41 complex: Understanding the determinants of binding affinity by comparison with Abl-SH3

Protein

Buried water molecules1

ΔHb (kJ mol-1)

T ΔSb (kJ mol-1)

ΔGb (kJ mol-1)

ΔCp,b (kJ K-1mol-1)

R21A Spc-SH3

No water

28.5

46.5

-18.0

-1.0

 

2 bound water molecules

-1.0

27.4

-28.4

-0.84

Abl-SH3

No water

21.6

41.4

-19.8

-0.98

 

5 bound water molecules

-58.5

-9.6

-49.1

-0.47

  1. 1Water molecules present in the bound state and not present in the unbound state were considered to contribute to the solvent accessible surface area of the unbound state as a fully exposed molecule.