TY - GEN
T1 - Fluorescence of native and partially denatured variant-3 scorpion neurotoxin
AU - Haydock, Christopher
AU - Sedarous, Salah S.
AU - Prendergast, Franklyn G.
PY - 1992/1/1
Y1 - 1992/1/1
N2 - The multi-component fluorescence intensity decay of variant-3 scorpion neurotoxin is measured with time-correlated single photon counting as a function of guanidine hydrochloride (GuHCl) concentration. Available evidence suggests that while the NH2-terminal β- sheet strand may be denatured in GuHCl, the remaining core neurotoxin structure remains intact. We investigate this hypothesis with computer simulations of variant-3 scorpion neurotoxin with lysine-1 to tyrosine-4 deleted. Previous combination thermodynamic perturbation and umbrella sampling, adiabatic mapping and minimum perturbation mapping computer simulations of tryptophan-47 in the native neurotoxin exhibited multiple rotational isomers that might correspond to the observed fluorescence intensity decay components. The new simulations allow us to compare the number of rotational isomers, the isomer populations, the order parameters, and the transition state theory isomer interconversion rates in the native and denatured states.
AB - The multi-component fluorescence intensity decay of variant-3 scorpion neurotoxin is measured with time-correlated single photon counting as a function of guanidine hydrochloride (GuHCl) concentration. Available evidence suggests that while the NH2-terminal β- sheet strand may be denatured in GuHCl, the remaining core neurotoxin structure remains intact. We investigate this hypothesis with computer simulations of variant-3 scorpion neurotoxin with lysine-1 to tyrosine-4 deleted. Previous combination thermodynamic perturbation and umbrella sampling, adiabatic mapping and minimum perturbation mapping computer simulations of tryptophan-47 in the native neurotoxin exhibited multiple rotational isomers that might correspond to the observed fluorescence intensity decay components. The new simulations allow us to compare the number of rotational isomers, the isomer populations, the order parameters, and the transition state theory isomer interconversion rates in the native and denatured states.
UR - http://www.scopus.com/inward/record.url?scp=0026436181&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0026436181&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:0026436181
SN - 0819407860
T3 - Proceedings of SPIE - The International Society for Optical Engineering
SP - 167
EP - 171
BT - Proceedings of SPIE - The International Society for Optical Engineering
PB - Publ by Int Soc for Optical Engineering
T2 - Time-Resolved Laser Spectroscopy in Biochemistry III
Y2 - 20 January 1992 through 22 January 1992
ER -