. Author manuscript; available in PMC: 2015 May 19.

Published in final edited form as: Q Rev Biophys. 2013 May;46(2):181–209. doi: 10.1017/S0033583513000024

Table 2.

Experimental pK changes in several proteins upon ligand binding. For each group, ΔpK = pK (complex) - pK (unligated receptor). Experimental references are given in (): (a),^127,150 (b),¹⁵⁵ (c),¹⁵⁶ (d),²³ (e),⁶¹ (f)¹³²

Receptor	Ligand	Group	ΔpK	PDB w/o ligand	PDB of complex
HIV-1 protease	pepstatin	ASP25	>+2.2 (a)	3HVP	1HPX
HIV-1 protease	pepstatin	ASP25'	<−1.5 (a)	3HVP	1HPX
Plasmepsin II	pepstatin	ASP34/214	+0.1 (b)	1PFZ	1SME
Plasmepsin II	pepstatin	HIS164	+1.5 (b)	1PFZ	1SME
HIV-1 protease	DMP-32	ASP25/25'	+2.19 (c)	1HHP	1QBS
Chymotrypsin	N-Acetyl-DL-Phe-CF3	HIS57	+3.3 (d)	6GCH	6GCH
Xylanase	2FXb	GLU172	−2.5 (e)	1BVV	1BVV
Hydroxynitrile lyase	thiocyanate	HIS235	+5.5 (f)	2YAS	2YAS