TRANSAMINATION OF GAMMA-AMINOBUTYRIC-ACID - A SEMIEMPIRICAL MOLECULAR-ORBITAL STUDY OF THE TRANSAMINASE MECHANISM

被引：5
|
作者：
NERO, TL [1 ]
ISKANDER, MN [1 ]
WONG, MG [1 ]
机构：
[1] SWINBURNE INST TECHNOL,DEPT APPL CHEM,HAWTHORN,VIC 3122,AUSTRALIA
来源：
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1993年 / 03期
关键词：
D O I：
10.1039/p29930000431
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
The mechanism of the pyridoxal-5-phosphate (PLP) dependent enzyme gamma-aminobutyric acid aminotransferase (EC 2.6.1.19, GABA-T) was investigated using the AM1 semiempirical molecular orbital method. The atomic charges calculated for the isolated reaction intermediates and the differences in the HOMO and LUMO energy levels are consistent with the experimentally determined mechanism. To examine the role of the ring nitrogen, a pyridoxal analogue in which the pyridine ring nitrogen is replaced by CH is considered in the model reaction steps of the same enzyme.
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页码：431 / 436
页数：6
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