ETHYLBENZENE HYDROXYLATION BY CYTOCHROME-P450CAM

被引:45
作者
FILIPOVIC, D
PAULSEN, MD
LOIDA, PJ
SLIGAR, SG
ORNSTEIN, RL
机构
[1] UNIV ILLINOIS, BECKMAN INST, URBANA, IL 61801 USA
[2] PACIFIC NW LAB, MOLEC SCI RES CTR, RICHLAND, WA 99352 USA
关键词
D O I
10.1016/0006-291X(92)91584-D
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 metabolism of ethylbenzene by cytochrome P450cam was analyzed by experimental and theoretical methods. The present experiments indicate that ethylbenzene is hydroxylated almost exclusively at the secondary ethyl carbon with about a 2:1 ratio of R:S product. Several molecular dynamics trajectories were performed with different starting conformations of ethylbenzene in the active site of P450cam. The stereochemistry of hydroxylation predicted from the molecular dynamics simulations was found to be in good agreement with the observed products. © 1992.
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收藏
页码:488 / 495
页数:8
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