Rational design of a carboxylic esterase RhEst1 based on computational analysis of substrate binding

来源 :第七届全国生物信息学与系统生物学学术大会 | 被引量 : 0次 | 上传用户：zhjie1977

【摘要】

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【作者】

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陈琦栾政娇郁惠蕾成小林许建和

【机构】

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华东理工大学,生物反应器工程国家重点实验室,上海,中国橡树岭国家实验室,分子生物物理中心,田纳西

【出处】

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第七届全国生物信息学与系统生物学学术大会

【发表日期】

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2016年8期

【关键词】

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carboxylic esterase molecular dynamics simulation rational design structural mec

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　　A new carboxylic esterase RhEst1 which catalyzes the hydrolysis of (S)-(+)-2,2-dimethylcyclopropanecarboxylate (S-DmCpCe),the key chiral building block of cilastatin,was identified and subsequently crystallized in our previous work[1,2].Mutant RhEst1A147I/V148F/G254A was found to show a 5-fold increase in the catalytic activity[3].

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Rational design of a carboxylic esterase RhEst1 based on computational analysis of substrate binding

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