Characterization of Member of DUF1888 Protein Family, Self-cleaving and Self-assembling Endopeptidase

被引：4

作者：

Osipiuk, Jerzy ^{[2
,3
]}

Mulligan, Rory ^{[2
,3
]}

Bargassa, Monireh ^{[2
,3
]}

Hamilton, John E. ^{[1
]}

Cunningham, Mark A. ^{[1
]}

Joachimiak, Andrzej ^{[2
,3
]}

机构：

[1] Univ Texas Pan Amer, Dept Phys & Geol, Edinburg, TX 78539 USA

[2] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA

[3] Argonne Natl Lab, Struct Biol Ctr, Argonne, IL 60439 USA

来源：

JOURNAL OF BIOLOGICAL CHEMISTRY | 2012年 / 287卷 / 23期

基金：

美国能源部; 美国国家科学基金会; 美国国家卫生研究院;

关键词：

MOLECULAR-DYNAMICS; AUTOCATALYTIC CLEAVAGE; ASPARTIC PROTEINASES; MATURATION CLEAVAGE; HIGH-THROUGHPUT; LOW PH; SIMULATIONS; SEQUENCE; DATABASE; CLONING;

D O I：

10.1074/jbc.M112.358069

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 crystal structure of SO1698 protein from Shewanella oneidensis was determined by a SAD method and refined to 1.57 angstrom. The structure is a beta sandwich that unexpectedly consists of two polypeptides; the N-terminal fragment includes residues 1-116, and the C-terminal one includes residues 117-125. Electron density also displayed the Lys-98 side chain covalently linked to Asp-116. The putative active site residues involved in self-cleavage were identified; point mutants were produced and characterized structurally and in a biochemical assay. Numerical simulations utilizing molecular dynamics and hybrid quantum/classical calculations suggest a mechanism involving activation of a water molecule coordinated by a catalytic aspartic acid.

引用

页码：19452 / 19461

页数：10

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