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Updated: Feb 4, 2026

Chemical Modification of the Tryptophan Residue in a Recombinant Ca2+-ATPase N-domain for Studying Tryptophan-ANS FRET
Published on: October 9, 2021
The structures and properties of anionic tryptophan complexes
Christian Ieritano1, Joshua Featherstone1, Patrick J J Carr1
1Department of Chemistry, University of Waterloo, Waterloo, ON N2L 3G1, Canada. shopkins@uwaterloo.ca.
Abstract:
The physicochemical properties of [Trpn-H]- and [TrpnCl]- (n = 1, 2) have been investigated in a combined computational and experimental infrared multiple dissociation (IRMPD) study. IRMPD spectra within the 850-1900 cm-1 region indicate that deprotonation is localized on the carboxylic acid moiety in [Trpn-H]- clusters. A combination of hydrogen bonding and higher order charge-quadrupole interactions appear to influence cluster geometries for all investigated systems. Calculated global minimum and low energy geometries of [TrpCl]- and [Trp2Cl]- clusters favour coordination of the halide by the indole NH. [Trp2-H]- and [Trp2Cl]- exhibit additional π-π interactions between the heterocyclic side chains.
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