1. X-ray structure of the cyclomaltohexaicosaose triiodide inclusion complex provides a model for amylose–iodine at atomic resolution
- Author
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Nimz, O., Geßler, K., Usón, I., Laettig, S., Welfle, H., Sheldrick, G.M., and Saenger, W.
- Subjects
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SUGARS , *COMPLEX compounds , *X-rays - Abstract
Cyclomaltohexaicosaose (CA26) is folded into two
12/3 turns long V-helices that are oriented antiparallel. Crystals of complexes of CA26 with NH4I3 and Ba(I3)2 are brown and X-ray analyses show thatI3− units are located in the ∼5 A˚ wide central channels of the V-helices. In the complex with NH4I3, two CA26 molecules are stacked to form2×12/3 turns long channels harbouring 3I3− at 3.66–3.85 A˚ interI3− distance (shorter than van der Waals distance, 4.3 A˚), whereas in the Ba(I3)2 complex, CA26 are not stacked and only oneI3− each fills the V-helices. Glucose⋯I contacts are formed with C5&z.sbnd;H, C3&z.sbnd;H, C6&z.sbnd;H and (at the ends of the V-helices) with O6 in (+) gauche orientation. By contrast, O2, O3, O4 and O6 in the preferred (−) gauche orientation do not interact with I because these distances are ≥4.01 A˚ and exceed the van der Waals I⋯O sum of radii by about 0.5 A˚ except for one O2⋯I distance of 3.68 A˚ near the end of one V-helix. Raman spectra indicate that the complexes share the presence ofI3− with blue amylose–iodine. [Copyright &y& Elsevier]- Published
- 2003
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