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

被引：26

作者：

Dolega, Anna ^{[1
]}

Baranowska, Katarzyna ^{[1
]}

Gudat, Dietrich ^{[2
]}

Herman, Aleksander ^{[1
]}

Stangret, Janusz ^{[3
]}

Konitz, Antoni ^{[1
]}

Smiechowski, Maciej ^{[3
]}

Godlewska, Sylwia ^{[1
]}

机构：

[1] Gdansk Univ Technol, Dept Inorgan Chem, PL-80233 Gdansk, Poland

[2] Univ Stuttgart, Inst Anorgan Chem, D-70569 Stuttgart, Germany

[3] Gdansk Univ Technol, Dept Phys Chem, PL-80233 Gdansk, Poland

来源：

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY | 2009年 / 24期

关键词：

Zinc; Cadmium; N; S ligands; Structure elucidation; Enzyme models; Coordination modes; COMPACT EFFECTIVE POTENTIALS; SILICON-SULFUR COMPOUNDS; EXPONENT BASIS-SETS; MOLECULAR-STRUCTURES; HYDROGEN-BOND; TERNARY COMPLEXES; HYDRIDE TRANSFER; LIVER; CHEMISTRY; COBALT(II);

D O I：

10.1002/ejic.200900106

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Two different modes of binding methanol and ethanol were found in crystals of heteroleptic zinc and cadmium complexes with MS2NO2 and MS2NO kernels and with a general formula M(RS)(2)(im) (M = Zn, Cd; RS = tri-tert-butoxysilanethiolate; im = im = imidazole, 2-methylimidazole, 2-ethylimidazole). Alcohol molecules are either trapped in the crystal lattice by NH center dot center dot center dot O and OH center dot center dot center dot S hydrogen bonds or directly coordinated to the metal centre. The complexes were studied by X-ray diffraction, solid state FTIR and H-1, C-13, Si-29, and Cd-113 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. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)

引用

页码：3644 / 3660

页数：17