. Author manuscript; available in PMC: 2016 Jan 29.

Published in final edited form as: J Med Chem. 2016 Jan 13;59(2):592–608. doi: 10.1021/acs.jmedchem.5b01369

Table 3. Chemical Shift Perturbations for Residues in ^caS100B upon the Addition of Inhibitors^a.

I.D.	Helix 1	Loop 2 (hinge)	Helix 3	Helix 4	C-terminal loop
4b ¹⁶	A9 ILL F14 H15	S41 L44 E45 E46	V52 T59	M74 V77 A83	E89 H90
11	K5 A9	L40 K48		A75 V77 S78 T81 T82 A83 C84 H85
6a	S1	H42 E45		S78 T81 T82 C84 H85	E86 F88 E89
6b	S1	H42		S78 T81 T82 C84 H85	E86 F88 E89
16b	S1 ILL F14	H42 E45		S78 T81 T82	E89 H90
TRTK¹⁶		L40 H42 L44 E45 I47	V52 K55 V56 T59	M79 V80 A83 C84	F87
p53¹⁶		L44	V52 V56	M79 V80	F87

Mapping of the binding site on ^caS100B using chemical shift perturbations (Δ¹H + Δ ¹⁵N) for residues upon addition of inhibitors.

Table 3. Chemical Shift Perturbations for Residues in caS100B upon the Addition of Inhibitorsa.