A THEORETICAL-STUDY OF HYDROLYSIS BY PHOSPHOLIPASE-A2 - THE CATALYTIC ROLE OF THE ACTIVE-SITE AND SUBSTRATE-SPECIFICITY

被引：19

作者：

WASZKOWYCZ, B

HILLIER, IH

GENSMANTEL, N

PAYLING, DW

机构：

[1] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND

[2] FISONS PLC,DIV PHARMACEUT,LOUGHBOROUGH LE11 0RH,LEICS,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1990年 / 07期

关键词：

D O I：

10.1039/p29900001259

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A computational model, which involves the combination of molecular mechanics and molecular-orbital methods, has been developed to study the energetics of phospholipid hydrolysis in the active site of phospholipase A 2. This model has been found to explain the catalytic role of the active site and is able to quantify differences in binding and hydrolysis between an ester and amide substrate. The mechanism of catalysis proposed on the basis of structural data is shown to be in accord with currently available experimental data.

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页码：1259 / 1268

页数：10

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