Prevalence of steric restrictions in enzymatic nitrile-hydrolysis of a preparation from Rhodococcus sp 409

被引：7
|
作者：
Deigner, HP
Blencowe, C
Freyberg, CE
机构：
[1] Pharmazeutisch-Chemisches Institut, University of Heidelberg, 69120 Heidelberg
来源：
JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC | 1996年 / 1卷 / 02期
关键词：
nitrilase; nitrile hydrolysis; active-site model; Rhodococcus sp 409;
D O I：
10.1016/1381-1177(95)00010-0
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
The size of the binding pocket of a nitrilase from Rhodococcus sp. 409 has beer: probed with 25 compounds and a basic active site model of potential predictive value has been established delineating the minimum pocket dimensions within a 4 Angstrom distance from the nitrile nitrogen atom. The total volume of this section of the model comprises 227.9 Angstrom(3). Differential volume calculations were found to be indicative for hydrolysis and consistently, SYBYL CoMFA steric field reflects 70% of explained variance.
引用
收藏
页码：61 / 70
页数：10
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