期刊
IUCRJ
卷 4, 期 -, 页码 283-290出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2052252517003475
关键词
rhenium; technetium; radiopharmaceutical agents; fragment-based design; two X-ray wavelengths
资金
- South African National Research Foundation
- SASOL University Collaboration Initiative
- University of the Free State (UFS) Prestige Scholar Program
- UFS
Multiple possibilities for the coordination of fac-[Re(CO)(3)(H2O)(3)](+) to a protein have been determined and include binding to Asp, Glu, Arg and His amino-acid residues as well as to the C-terminal carboxylate in the vicinity of Leu and Pro. The large number of rhenium metal complex binding sites that have been identified on specific residues thereby allow increased target identification for the design of future radiopharmaceuticals. The core experimental concept involved the use of state-of-art tuneable synchrotron radiation at the Diamond Light Source to optimize the rhenium anomalous dispersion signal to a large value ( f of 12.1 electrons) at its L-1 absorption edge with a selected X-ray wavelength of 0.9763 angstrom. At the Cu K alpha X-ray wavelength (1.5418 angstrom) the f for rhenium is 5.9 electrons. The expected peak-height increase owing to the optimization of the Re f was therefore 2.1. This X-ray wavelength tuning methodology thereby showed the lower occupancy rhenium binding sites as well as the occupancies of the higher occupancy rhenium binding sites.
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