113Cd NMR in binary and ternary complexes of cadmium-substituted horse liver alcohol dehydrogenase.
作者： B.R. Bobsein , R.J. Myers
DOI: 10.1016/S0021-9258(19)69198-2
关键词: Medicinal chemistry 、 Hydroxide 、 Catalysis 、 Chemistry 、 Aldehyde 、 Stereochemistry 、 Alcohol dehydrogenase 、 Alcohol 、 Coordination sphere 、 Pyrazole 、 Substrate (chemistry)
摘要: Abstract The 113Cd NMR has been observed for Cd(II)-substituted horse liver alcohol dehydrogenase (LADH) and its complexes with coenzymes several substrate analogs. Compared to free enzyme, the catalytic Cd(II) resonance is shielded by 41--41 ppm in both LADH-NADH LADH-NAD+. In ternary of LADH-NAD+ either trifluoroethanol or pyrazole, this narrows deshielded 75 ppm. LADH-NADH-butyramide complex gives only 3 deshielding relative resonance. At pH = 10.3, unbound LADH broadened slightly deshielded. No other resonances are dependent upon range 8--10. These data most consistent a second sphere coordination analogs metal ion. difference between aldehyde analog would then be explained as presence hydroxide versus water molecule, respectively, first sphere. also show that pKa coordinated on Zn(II) native close 9.2 previously assumed, whereas Zn(II)-bound likely greater than 9 not 7.6 assumed.
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