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Modeling of the Alcohol Dehydrogenase Active Site: Two Different Modes of Alcohol Binding in Crystals of Zinc and Cadmium Tri‐ tert ‐butoxysilanethiolates Evidenced by X‐ray Diffraction and Solid‐State Vibrational Spectroscopy
Author(s) -
Dołęga Anna,
Baranowska Katarzyna,
Gudat Dietrich,
Herman Aleksander,
Stangret Janusz,
Konitz Antoni,
Śmiechowski Maciej,
Godlewska Sylwia
Publication year - 2009
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.200900106
Subject(s) - chemistry , zinc , alcohol dehydrogenase , methanol , alcohol , hydrogen bond , active site , inorganic chemistry , cadmium , molecule , ethanol , crystal structure , crystallography , stereochemistry , nuclear chemistry , organic chemistry , enzyme
Two different modes of binding methanol and ethanol were found in crystals of heteroleptic zinc and cadmium complexes with MS 2 NO 2 and MS 2 NO kernels and with a general formula M(RS) 2 (im) (M = Zn, Cd; RS = tri‐ tert ‐butoxysilanethiolate; im = imidazole, 2‐methylimidazole, 2‐ethylimidazole). Alcohol molecules are either trapped in the crystal lattice by NH ··· O and OH ··· S hydrogen bonds or directly coordinated to the metal centre. The complexes were studied by X‐ray diffraction, solid state FTIR and 1 H, 13 C, 29 Si, and 113 Cd NMR spectroscopy both in solution and the solid state. The zinc complexes containing coordinated methanol and ethanol are considered as structural mimics of the active site of alcohol dehydrogenase and support intermittent five‐coordination of the zinc ion in the active site of alcohol dehydrogenase.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)