Table 2.
Kd, μM |
Error | ΔG, kcal mol−1 |
ΔΔGaffinity, kcal mol−1 |
ΔΔGspecificity,b kcal mol−1 |
||
---|---|---|---|---|---|---|
|
||||||
Src | Arg | 5.3 | 0.3 | −7.2 | 0 | −1.0 |
Dap-Ac | 83 | 2.8 | −5.5 | 1.63 | −0.9 | |
Arg(gGly) | 104 | 8.1 | −5.4 | 1.76 | −0.9 | |
Arg(gl-Val) | 86 | 3.1 | −5.5 | 1.65 | −0.5 | |
Arg(gd-Val) | 75 | 3.2 | −5.6 | 1.57 | −0.7 | |
Arg(gl-Phe) | 54 | 4.8 | −5.8 | 1.37 | −0.5 | |
Arg(gd-Phe) | 75 | 4.9 | −5.6 | 1.57 | −0.7 | |
Arg(gl-Trp ) | 54 | 3.8 | −5.8 | 1.37 | −0.9 | |
Arg(gd-Trp) | 51 | 3.6 | −5.8 | 1.34 | −1.1 | |
Grb | Arg | 29 | 2 | −6.2 | 0 | |
Dap-Ac | 388 | 75 | −4.6 | 1.53 | ||
Arg(gGly) | 445 | 75 | −4.6 | 1.60 | ||
Arg(gl-Val) | 210 | 21 | −5.0 | 1.17 | ||
Arg(gd-Val) | 243 | 33 | −4.9 | 1.25 | ||
Arg(gl-Phe) | 117 | 10 | −5.3 | 0.82 | ||
Arg(gd-Phe) | 254 | 17 | −4.9 | 1.28 | ||
Arg(gl-Trp) | 253 | 16 | −4.9 | 1.28 | ||
Arg(gd-Trp) | 333 | 29 | −4.7 | 1.43 |
ΔΔGaffinity = ΔG (peptide) – ΔG (Arg).
ΔΔGspecificity = ΔGSrc – ΔGGrb for a given peptide. All peptides bound poorly to Crk (Kd > 250 μM). All experiments were conducted in PBS at 25 °C.