Table 1.

Thermodynamic binding parameters determined by ITC

Fragment	ΔH, kcal/mol	ΔG, kcal/mol	Kd, mM	LE
1	−13.9 ± 0.1	−4.0 ± 0.1	1.2 ± 0.01	0.29
2	−10.1 ± 0.2	−4.5 ± 0.3	0.5 ± 0.01	0.30
3	−11.6 ± 0.2	−3.1 ± 0.3	5.1 ± 0.2	0.26
6 (racemate)	−10.3 ± 0.05	−4.2 ± 0.1	0.9 ± 0.04	0.32
6 (R-enantiomer)	−7.9 ± 0.1	−4.1 ± 0.1	0.9 ± 0.02	0.32
6 (S-enantiomer)	−12.3 ± 0.2	−4.3 ± 0.2	0.7 ± 0.02	0.33
7	−9.4 ± 0.1	−3.3 ± 0.1	3.5 ± 0.04	0.28
8	−7.51 ± 0.1	−4.2 ± 0.1	0.7 ± 0.02	0.32
10	−7.2 ± 0.1	−3.7 ± 0.1	1.9 ± 0.03	0.37
11	−16.2 ± 0.8	−3.4 ± 0.9	3.2 ± 0.2	0.31
11 (in the presence of ATP)	−1.5 ± 0.05	−3.8 ± 0.1	1.7 ± 0.08	0.34
12	−21.2 ± 1.0	−2.7 ± 1.0	10.9 ± 0.6	0.27
13	−10.7 ± 0.3	−3.1 ± 0.3	4.9 ± 0.2	0.26
14	−8.7 ± 0.2	−4.0 ± 0.2	1.0 ± 0.01	0.33
15	−12.3 ± 0.7	−2.3 ± 0.7	11.5 ± 0.8	0.18
16	−11.3 ± 0.02	−2.6 ± 0.1	17.3 ± 0.8	0.22
16 (in the presence of ATP)	−1.8 ± 0.4	−3.8 ± 0.4	1.4 ± 0.02	0.32
17	−5.3 ± 0.2	−3.1 ± 0.2	4.5 ± 0.2	0.34